| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 49.8 | Very low | 59.4 | Low | 246 Ų | 246 | 182.7 Ų | 182.7 | 100% | 1.212 | 88% | 0.875 | S | S | * | * | 0 | 141.1 | 0 | -65.2 | -178.5 | 77.5 | 0 | 0 | 109 | |||||
| 2 | A | 49.9 | Very low | 59.6 | Low | 94 Ų | 94 | 184.2 Ų | 184.2 | 78% | 0.777 | 87% | 0.874 | S | S | * | * | trans | -92.7 | 141.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 3 | P | 57.9 | Low | 60.3 | Low | 126 Ų | 126 | 179.7 Ų | 179.7 | 82% | 0.818 | 86% | 0.859 | S | S | * | * | trans | -74.5 | 130.3 | -175.5 | 29.4 | -34.2 | 0 | 0 | 0 | 112 | K5 | P3-K5 PolarHBondContact O-N 3.25Š| ||
| 4 | R | 58.3 | Low | 61.9 | Low | 249 Ų | 249 | 170 Ų | 170 | 94% | 0.94 | 82% | 0.819 | S | S | * | * | trans | -78.5 | 105.7 | -175.7 | -151.3 | 176.9 | -169.3 | -170.5 | 4.1 | 110.1 | R6 | R4-R6 PolarHBondContact O-N 3.36Å; R4-R6 VanDerWaalsContact O-N 3.1Å | ||
| 5 | K | 61.3 | Low | 63.4 | Low | 198 Ų | 198 | 165.6 Ų | 165.6 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | trans | -56.9 | 114.5 | 177.4 | -76.4 | -175.2 | 176.4 | 179.5 | 0 | 110.9 | P3 T7 | P3-K5 PolarHBondContact O-N 3.25Å; K5-T7 PolarHBondContact O-N 3.1Å | ||
| 6 | R | 61.8 | Low | 65.1 | Low | 240 Ų | 240 | 166.2 Ų | 166.2 | 91% | 0.906 | 81% | 0.807 | S | S | * | * | trans | -76.4 | 111.8 | 177.9 | -152.5 | 175.2 | -173.9 | -177.6 | 1.1 | 108.6 | R4 T8 | R4-R6 PolarHBondContact O-N 3.36Å; R4-R6 VanDerWaalsContact O-N 3.1Å; R6-T8 PolarHBondContact O-N 3.15Å; R6-T8 VanDerWaalsContact O-N 3.15Å | ||
| 7 | T | 61.2 | Low | 66.5 | Low | 126 Ų | 126 | 160.7 Ų | 160.7 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | -81 | 94 | -179 | 43.4 | 0 | 0 | 0 | 0 | 110.9 | K5 K9 | K5-T7 PolarHBondContact O-N 3.1Å; T7-K9 PolarHBondContact O-N 2.95Å | ||
| 8 | T | 65.2 | Low | 67.9 | Low | 131 Ų | 131 | 154.4 Ų | 154.4 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -62.5 | 106.9 | 171.5 | -42.6 | 0 | 0 | 0 | 0 | 109 | R6 Q10 | R6-T8 PolarHBondContact O-N 3.15Å; R6-T8 VanDerWaalsContact O-N 3.15Å; T8-Q10 PolarHBondContact O-N 3.02Å | ||
| 9 | K | 60.3 | Low | 69.3 | Low | 196 Ų | 196 | 154.7 Ų | 154.7 | 85% | 0.852 | 76% | 0.76 | S | S | * | * | trans | -65.8 | 102 | 177.8 | -76.9 | -177.6 | 178 | 175.6 | 0 | 109.4 | T7 R11 | T7-K9 PolarHBondContact O-N 2.95Å; K9-R11 PolarHBondContact O-N 3.43Å | ||
| 10 | Q | 64.8 | Low | 70.6 | Confident | 171 Ų | 171 | 152.2 Ų | 152.2 | 80% | 0.799 | 75% | 0.749 | S | S | * | * | trans | -44.9 | 124.5 | 164.1 | -79.4 | -79.3 | -8.8 | 0 | 0 | 109.7 | T8 K12 | T8-Q10 PolarHBondContact O-N 3.02Å; Q10-K12 PolarHBondContact O-N 3.27Å | ||
| 11 | R | 62.5 | Low | 71.7 | Confident | 233 Ų | 233 | 150.2 Ų | 150.2 | 88% | 0.879 | 74% | 0.738 | S | S | * | * | trans | -62.3 | 111.5 | 172.8 | -91.3 | -175.4 | 170.9 | -178.5 | -2 | 107.6 | K9 N13 | K9-R11 PolarHBondContact O-N 3.43Å; R11-N13 PolarHBondContact O-N 2.85Å | ||
| 12 | K | 62.4 | Low | 73.9 | Confident | 200 Ų | 200 | 140.5 Ų | 140.5 | 87% | 0.87 | 70% | 0.697 | S | S | * | * | trans | -74.9 | 97.2 | 172.6 | -69.9 | -174.5 | 177.1 | -175.8 | 0 | 108.3 | Q10 S14 | Q10-K12 PolarHBondContact O-N 3.27Å; K12-S14 PolarHBondContact O-N 3.07Å | ||
| 13 | N | 68.3 | Low | 76.2 | Confident | 126 Ų | 126 | 142.5 Ų | 142.5 | 67% | 0.674 | 69% | 0.689 | S | S | * | * | trans | -53 | 124.3 | 167.7 | -71.9 | -0.3 | 0 | 0 | 0 | 108 | R11 | R11-N13 PolarHBondContact O-N 2.85Š| ||
| 14 | S | 82.3 | Confident | 78.1 | Confident | 44 Ų | 44 | 140.7 Ų | 140.7 | 31% | 0.308 | 67% | 0.672 | S | S | . | * | trans | -72.5 | 144.2 | -177 | 82 | 0 | 0 | 0 | 0 | 109.2 | K12 K16 T17 A18 | K12-S14 PolarHBondContact O-N 3.07Å; S14-K16 PolarHBondContact O-N 3.36Å; S14-K16 PolarHBondContact OG-N 3.2Å; S14-T17 PolarHBondContact N-OG1 2.87Å; S14-T17 PolarHBondContact O-N 3.06Å; S14-T17 VanDerWaalsContact O-N 3.12Å; S14-T17 PolarHBondContact O-OG1 2.94Å; S14-T17 WeakPolarHBondContact OG-CB 3.43Å; S14-T17 WeakPolarHBondContact OG-CG2 3.29Å; S14-T17 PolarHBondContact OG-N 3.07Å; S14-T17 PolarHBondContact OG-OG1 3.16Å; S14-A18 PolarHBondContact O-N 2.81Å; S14-A18 VanDerWaalsContact O-N 3.16Å | ||
| 15 | P | 85.1 | Confident | 80 | Confident | 104 Ų | 104 | 135.1 Ų | 135.1 | 68% | 0.675 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -5.6 | 175.3 | 28.7 | -36 | 0 | 0 | 0 | 112.8 | K19 | P15-K19 WeakPolarHBondContact O-CD 3.48Å; P15-K19 VanDerWaalsContact O-CG 3.27Å; P15-K19 WeakPolarHBondContact O-CG 3.39Å |
| 16 | K | 89.9 | Confident | 81.7 | Confident | 175 Ų | 175 | 130.8 Ų | 130.8 | 76% | 0.761 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -44.6 | 170.7 | -65.6 | -174.3 | 178 | -175.5 | 0 | 111.6 | S14 K19 L20 | S14-K16 PolarHBondContact O-N 3.36Å; S14-K16 PolarHBondContact OG-N 3.2Å; K16-K19 PolarHBondContact O-N 2.92Å; K16-L20 PolarHBondContact O-N 3.2Å |
| 17 | T | 90.2 | Very high | 83.5 | Confident | 73 Ų | 73 | 124.5 Ų | 124.5 | 45% | 0.448 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -65.4 | -44 | 178.4 | 45.9 | 0 | 0 | 0 | 0 | 111.2 | S14 K19 L20 E21 | S14-T17 PolarHBondContact N-OG1 2.87Å; S14-T17 PolarHBondContact O-N 3.06Å; S14-T17 VanDerWaalsContact O-N 3.12Å; S14-T17 PolarHBondContact O-OG1 2.94Å; S14-T17 WeakPolarHBondContact OG-CB 3.43Å; S14-T17 WeakPolarHBondContact OG-CG2 3.29Å; S14-T17 PolarHBondContact OG-N 3.07Å; S14-T17 PolarHBondContact OG-OG1 3.16Å; T17-K19 VanDerWaalsContact C-N 3.26Å; T17-K19 PolarHBondContact O-N 3.05Å; T17-L20 PolarHBondContact O-N 2.97Å; T17-L20 VanDerWaalsContact O-N 3.12Å; T17-E21 WeakPolarHBondContact O-CB 3.4Å; T17-E21 PolarHBondContact O-N 3.12Å |
| 18 | A | 91.2 | Very high | 85.2 | Confident | 47 Ų | 47 | 122.4 Ų | 122.4 | 39% | 0.388 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -62.6 | -30.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S14 A22 | S14-A18 PolarHBondContact O-N 2.81Å; S14-A18 VanDerWaalsContact O-N 3.16Å; A18-A22 PolarHBondContact O-N 3.08Å |
| 19 | K | 94 | Very high | 86.8 | Confident | 160 Ų | 160 | 119.1 Ų | 119.1 | 70% | 0.696 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -75.7 | -34.9 | 174.4 | -76.1 | -178.6 | 179.3 | -164.2 | 0 | 113 | P15 K16 T17 F23 | P15-K19 WeakPolarHBondContact O-CD 3.48Å; P15-K19 VanDerWaalsContact O-CG 3.27Å; P15-K19 WeakPolarHBondContact O-CG 3.39Å; K16-K19 PolarHBondContact O-N 2.92Å; T17-K19 VanDerWaalsContact C-N 3.26Å; T17-K19 PolarHBondContact O-N 3.05Å; K19-F23 WeakPolarHBondContact O-CB 3.49Å; K19-F23 PolarHBondContact O-N 2.9Å; K19-F23 VanDerWaalsContact O-N 3.17Å |
| 20 | L | 95.8 | Very high | 88.6 | Confident | 105 Ų | 105 | 115.2 Ų | 115.2 | 55% | 0.55 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -69.9 | -40.9 | 175.3 | 180 | 62.6 | 0 | 0 | 0 | 110.8 | K16 T17 F23 L24 | K16-L20 PolarHBondContact O-N 3.2Å; T17-L20 PolarHBondContact O-N 2.97Å; T17-L20 VanDerWaalsContact O-N 3.12Å; L20-F23 PolarHBondContact O-N 3.47Å; L20-L24 HydrophobicContact CG-CD1 4.23Å; L20-L24 WeakPolarHBondContact O-CG 3.27Å; L20-L24 PolarHBondContact O-N 3.12Å |
| 21 | E | 94.4 | Very high | 90.2 | Very high | 110 Ų | 110 | 110.1 Ų | 110.1 | 51% | 0.514 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -58.2 | -54.3 | 175.3 | -171.4 | 166.2 | -148.1 | 0 | 0 | 111 | T17 F23 L24 E25 | T17-E21 WeakPolarHBondContact O-CB 3.4Å; T17-E21 PolarHBondContact O-N 3.12Å; E21-F23 VanDerWaalsContact C-N 3.31Å; E21-F23 PolarHBondContact O-N 3.01Å; E21-L24 PolarHBondContact O-N 3.1Å; E21-E25 PolarHBondContact O-N 2.91Å |
| 22 | A | 95.4 | Very high | 91.9 | Very high | 43 Ų | 43 | 105.9 Ų | 105.9 | 36% | 0.355 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -58 | -38.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | A18 L24 E25 D26 | A18-A22 PolarHBondContact O-N 3.08Å; A22-L24 VanDerWaalsContact C-N 3.34Å; A22-L24 PolarHBondContact O-N 2.99Å; A22-E25 PolarHBondContact O-N 3.34Å; A22-D26 PolarHBondContact O-N 2.95Å |
| 23 | F | 97.8 | Very high | 93.6 | Very high | 135 Ų | 135 | 100.3 Ų | 100.3 | 59% | 0.592 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.4 | -34.8 | 176.5 | -178.8 | -94.5 | 0 | 0 | 0 | 112.9 | K19 L20 E21 F27 | K19-F23 WeakPolarHBondContact O-CB 3.49Å; K19-F23 PolarHBondContact O-N 2.9Å; K19-F23 VanDerWaalsContact O-N 3.17Å; L20-F23 PolarHBondContact O-N 3.47Å; E21-F23 VanDerWaalsContact C-N 3.31Å; E21-F23 PolarHBondContact O-N 3.01Å; F23-F27 WeakPolarHBondContact O-CB 3.27Å; F23-F27 PolarHBondContact O-N 3.07Å |
| 24 | L | 97.8 | Very high | 95.1 | Very high | 89 Ų | 89 | 101.9 Ų | 101.9 | 47% | 0.466 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -72 | -38.4 | 174.8 | -69.9 | 168.7 | 0 | 0 | 0 | 111.4 | L20 E21 A22 F27 D28 | L20-L24 HydrophobicContact CG-CD1 4.23Å; L20-L24 WeakPolarHBondContact O-CG 3.27Å; L20-L24 PolarHBondContact O-N 3.12Å; E21-L24 PolarHBondContact O-N 3.1Å; A22-L24 VanDerWaalsContact C-N 3.34Å; A22-L24 PolarHBondContact O-N 2.99Å; L24-F27 PolarHBondContact O-N 3.29Å; L24-D28 WeakPolarHBondContact O-CB 3.01Å; L24-D28 PolarHBondContact O-N 2.77Å |
| 25 | E | 97.8 | Very high | 95.8 | Very high | 131 Ų | 131 | 104 Ų | 104 | 61% | 0.612 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.4 | -46.4 | 173 | -69.9 | -179.8 | 159.4 | 0 | 0 | 111.9 | E21 A22 D28 S29 | E21-E25 PolarHBondContact O-N 2.91Å; A22-E25 PolarHBondContact O-N 3.34Å; E25-D28 PolarHBondContact O-N 3.19Å; E25-S29 WeakPolarHBondContact O-CB 3.48Å; E25-S29 PolarHBondContact O-N 2.88Å |
| 26 | D | 98.1 | Very high | 96.5 | Very high | 108 Ų | 108 | 101 Ų | 101 | 58% | 0.578 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -58.7 | -48.1 | 174.7 | -77.1 | -22.7 | 0 | 0 | 0 | 110.8 | A22 S29 E30 | A22-D26 PolarHBondContact O-N 2.95Å; D26-S29 WeakPolarHBondContact O-CB 3.29Å; D26-S29 PolarHBondContact O-N 3.12Å; D26-S29 PolarHBondContact O-OG 3.27Å; D26-E30 PolarHBondContact O-N 3.32Å |
| 27 | F | 98.3 | Very high | 96.9 | Very high | 108 Ų | 108 | 97 Ų | 97 | 47% | 0.474 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.8 | -47 | 179 | -178.5 | -97.5 | 0 | 0 | 0 | 112.7 | F23 L24 S29 E30 V31 | F23-F27 WeakPolarHBondContact O-CB 3.27Å; F23-F27 PolarHBondContact O-N 3.07Å; L24-F27 PolarHBondContact O-N 3.29Å; F27-S29 PolarHBondContact O-N 3.07Å; F27-E30 PolarHBondContact O-N 3.27Å; F27-E30 VanDerWaalsContact O-N 3.16Å; F27-V31 HydrophobicContact CD1-CG2 4.13Å; F27-V31 HydrophobicContact CE1-CG2 3.72Å; F27-V31 HydrophobicContact CE2-CG2 4.34Å; F27-V31 HydrophobicContact CZ-CG2 3.84Å; F27-V31 WeakPolarHBondContact O-CG2 3.34Å; F27-V31 PolarHBondContact O-N 3.34Å |
| 28 | D | 98.3 | Very high | 97.3 | Very high | 82 Ų | 82 | 98.7 Ų | 98.7 | 44% | 0.439 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.9 | -35.1 | 175.7 | -86.8 | 2.9 | 0 | 0 | 0 | 111.7 | L24 E25 K32 | L24-D28 WeakPolarHBondContact O-CB 3.01Å; L24-D28 PolarHBondContact O-N 2.77Å; E25-D28 PolarHBondContact O-N 3.19Å; D28-K32 WeakPolarHBondContact O-CB 3.39Å; D28-K32 VanDerWaalsContact O-CD 3.32Å; D28-K32 WeakPolarHBondContact O-CD 3.29Å; D28-K32 WeakPolarHBondContact O-CG 3.38Å; D28-K32 PolarHBondContact O-N 2.81Å |
| 29 | S | 97.6 | Very high | 97.6 | Very high | 61 Ų | 61 | 104.6 Ų | 104.6 | 43% | 0.427 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.3 | -39.6 | 175.3 | 86.5 | 0 | 0 | 0 | 0 | 112.2 | E25 D26 F27 T33 | E25-S29 WeakPolarHBondContact O-CB 3.48Å; E25-S29 PolarHBondContact O-N 2.88Å; D26-S29 WeakPolarHBondContact O-CB 3.29Å; D26-S29 PolarHBondContact O-N 3.12Å; D26-S29 PolarHBondContact O-OG 3.27Å; F27-S29 PolarHBondContact O-N 3.07Å; S29-T33 WeakPolarHBondContact O-CB 3.17Å; S29-T33 PolarHBondContact O-N 2.83Å; S29-T33 PolarHBondContact O-OG1 3.41Å |
| 30 | E | 98.3 | Very high | 97.8 | Very high | 114 Ų | 114 | 103.5 Ų | 103.5 | 53% | 0.533 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.8 | -46.4 | 175.8 | -169 | -172.1 | 155.7 | 0 | 0 | 110.8 | D26 F27 K32 T33 R34 | D26-E30 PolarHBondContact O-N 3.32Å; F27-E30 PolarHBondContact O-N 3.27Å; F27-E30 VanDerWaalsContact O-N 3.16Å; E30-K32 PolarHBondContact O-N 3.17Å; E30-T33 PolarHBondContact O-N 2.83Å; E30-R34 WeakPolarHBondContact O-CB 3.44Å; E30-R34 PolarHBondContact O-N 3.03Å |
| 31 | V | 98.7 | Very high | 97.9 | Very high | 64 Ų | 64 | 106.6 Ų | 106.6 | 39% | 0.388 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.5 | -47.9 | 177.4 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | F27 T33 R34 V35 | F27-V31 HydrophobicContact CD1-CG2 4.13Å; F27-V31 HydrophobicContact CE1-CG2 3.72Å; F27-V31 HydrophobicContact CE2-CG2 4.34Å; F27-V31 HydrophobicContact CZ-CG2 3.84Å; F27-V31 WeakPolarHBondContact O-CG2 3.34Å; F27-V31 PolarHBondContact O-N 3.34Å; V31-T33 VanDerWaalsContact C-N 3.33Å; V31-T33 PolarHBondContact O-N 3.07Å; V31-R34 PolarHBondContact O-N 3.38Å; V31-V35 HydrophobicContact CG1-CG2 4.37Å; V31-V35 WeakPolarHBondContact O-CB 3.47Å; V31-V35 VanDerWaalsContact O-CG2 3.31Å; V31-V35 WeakPolarHBondContact O-CG2 3.42Å; V31-V35 PolarHBondContact O-N 3.23Å |
| 32 | K | 98.4 | Very high | 98.1 | Very high | 145 Ų | 145 | 106.1 Ų | 106.1 | 63% | 0.63 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -58.2 | -44.8 | 175.7 | -74.1 | 163.7 | -170.3 | 159.7 | 0 | 111.8 | D28 E30 G36 | D28-K32 WeakPolarHBondContact O-CB 3.39Å; D28-K32 VanDerWaalsContact O-CD 3.32Å; D28-K32 WeakPolarHBondContact O-CD 3.29Å; D28-K32 WeakPolarHBondContact O-CG 3.38Å; D28-K32 PolarHBondContact O-N 2.81Å; E30-K32 PolarHBondContact O-N 3.17Å; K32-G36 PolarHBondContact O-N 3.24Å |
| 33 | T | 98.4 | Very high | 98.3 | Very high | 83 Ų | 83 | 107.6 Ų | 107.6 | 51% | 0.509 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.8 | -46.1 | 178.3 | -58.2 | 0 | 0 | 0 | 0 | 111.4 | S29 E30 V31 G36 Q37 | S29-T33 WeakPolarHBondContact O-CB 3.17Å; S29-T33 PolarHBondContact O-N 2.83Å; S29-T33 PolarHBondContact O-OG1 3.41Å; E30-T33 PolarHBondContact O-N 2.83Å; V31-T33 VanDerWaalsContact C-N 3.33Å; V31-T33 PolarHBondContact O-N 3.07Å; T33-G36 PolarHBondContact O-N 2.77Å; T33-Q37 WeakPolarHBondContact O-CG 3.19Å; T33-Q37 PolarHBondContact O-N 3.33Å |
| 34 | R | 98.5 | Very high | 98.3 | Very high | 158 Ų | 158 | 105.5 Ų | 105.5 | 60% | 0.596 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.6 | -41.3 | -178.7 | -168.3 | 169.7 | -176.7 | 156.4 | -1.4 | 112.4 | E30 V31 G36 Q37 M38 | E30-R34 WeakPolarHBondContact O-CB 3.44Å; E30-R34 PolarHBondContact O-N 3.03Å; V31-R34 PolarHBondContact O-N 3.38Å; R34-G36 VanDerWaalsContact C-N 3.34Å; R34-Q37 PolarHBondContact O-N 3.2Å; R34-M38 WeakPolarHBondContact O-CG 3.21Å; R34-M38 PolarHBondContact O-N 3.41Å |
| 35 | V | 98.6 | Very high | 98.4 | Very high | 90 Ų | 90 | 106.6 Ų | 106.6 | 55% | 0.545 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.3 | -41 | 172.9 | 171 | 0 | 0 | 0 | 0 | 111 | V31 M38 R39 | V31-V35 HydrophobicContact CG1-CG2 4.37Å; V31-V35 WeakPolarHBondContact O-CB 3.47Å; V31-V35 VanDerWaalsContact O-CG2 3.31Å; V31-V35 WeakPolarHBondContact O-CG2 3.42Å; V31-V35 PolarHBondContact O-N 3.23Å; V35-M38 PolarHBondContact O-N 3.34Å; V35-R39 PolarHBondContact O-N 3.29Å |
| 36 | G | 98.4 | Very high | 98.4 | Very high | 39 Ų | 39 | 105.1 Ų | 105.1 | 40% | 0.402 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -56.9 | -52.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | K32 T33 R34 M38 R39 E40 | K32-G36 PolarHBondContact O-N 3.24Å; T33-G36 PolarHBondContact O-N 2.77Å; R34-G36 VanDerWaalsContact C-N 3.34Å; G36-M38 VanDerWaalsContact C-N 3.33Å; G36-M38 PolarHBondContact O-N 3.45Å; G36-R39 PolarHBondContact O-N 3.23Å; G36-E40 PolarHBondContact O-N 2.98Å |
| 37 | Q | 98.3 | Very high | 98.4 | Very high | 92 Ų | 92 | 105.5 Ų | 105.5 | 43% | 0.43 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.8 | -39.1 | 176.7 | -70.6 | 176 | 6.3 | 0 | 0 | 112.9 | T33 R34 E40 R41 | T33-Q37 WeakPolarHBondContact O-CG 3.19Å; T33-Q37 PolarHBondContact O-N 3.33Å; R34-Q37 PolarHBondContact O-N 3.2Å; Q37-E40 PolarHBondContact O-N 3.38Å; Q37-R41 VanDerWaalsContact O-CG 3.29Å; Q37-R41 WeakPolarHBondContact O-CG 3.34Å; Q37-R41 PolarHBondContact O-N 3.03Å |
| 38 | M | 98.6 | Very high | 98.4 | Very high | 108 Ų | 108 | 104.2 Ų | 104.2 | 53% | 0.532 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.8 | -43.2 | 176.8 | -73.7 | 177.5 | 66.4 | 0 | 0 | 111.8 | R34 V35 G36 R41 I42 | R34-M38 WeakPolarHBondContact O-CG 3.21Å; R34-M38 PolarHBondContact O-N 3.41Å; V35-M38 PolarHBondContact O-N 3.34Å; G36-M38 VanDerWaalsContact C-N 3.33Å; G36-M38 PolarHBondContact O-N 3.45Å; M38-R41 PolarHBondContact O-N 2.94Å; M38-I42 WeakPolarHBondContact O-CG1 3.33Å; M38-I42 PolarHBondContact O-N 3.47Å; M38-I42 VanDerWaalsContact O-N 3.07Å |
| 39 | R | 98.4 | Very high | 98.4 | Very high | 172 Ų | 172 | 103.5 Ų | 103.5 | 65% | 0.649 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.3 | -40.5 | 174.8 | 175.3 | 177.4 | -93.8 | -85.1 | 6.8 | 111.8 | V35 G36 I42 N43 | V35-R39 PolarHBondContact O-N 3.29Å; G36-R39 PolarHBondContact O-N 3.23Å; R39-I42 PolarHBondContact O-N 3.36Å; R39-N43 VanDerWaalsContact O-CG 3.27Å; R39-N43 PolarHBondContact O-N 3.49Å; R39-N43 PolarHBondContact O-ND2 3.16Å |
| 40 | E | 98.5 | Very high | 98.4 | Very high | 136 Ų | 136 | 105.2 Ų | 105.2 | 64% | 0.636 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.6 | -45.1 | 176.2 | -174.9 | 173.1 | -154.9 | 0 | 0 | 111.9 | G36 Q37 I42 N43 Q44 | G36-E40 PolarHBondContact O-N 2.98Å; Q37-E40 PolarHBondContact O-N 3.38Å; E40-I42 VanDerWaalsContact C-N 3.34Å; E40-I42 PolarHBondContact O-N 2.88Å; E40-N43 PolarHBondContact O-N 2.99Å; E40-Q44 PolarHBondContact O-N 3.12Å |
| 41 | R | 98.4 | Very high | 98.4 | Very high | 170 Ų | 170 | 104 Ų | 104 | 64% | 0.642 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.4 | -40.5 | 175.2 | -72.4 | 172.7 | -170.5 | 179.5 | 4.6 | 112.9 | Q37 M38 Q44 L45 | Q37-R41 VanDerWaalsContact O-CG 3.29Å; Q37-R41 WeakPolarHBondContact O-CG 3.34Å; Q37-R41 PolarHBondContact O-N 3.03Å; M38-R41 PolarHBondContact O-N 2.94Å; R41-Q44 PolarHBondContact O-N 3.28Å; R41-L45 WeakPolarHBondContact O-CB 3.42Å; R41-L45 PolarHBondContact O-N 3.39Å |
| 42 | I | 98.5 | Very high | 98.4 | Very high | 100 Ų | 100 | 103 Ų | 103 | 51% | 0.513 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.2 | -47.1 | 175.2 | -69 | 165.7 | 0 | 0 | 0 | 110.4 | M38 R39 E40 Q44 L45 L46 | M38-I42 WeakPolarHBondContact O-CG1 3.33Å; M38-I42 PolarHBondContact O-N 3.47Å; M38-I42 VanDerWaalsContact O-N 3.07Å; R39-I42 PolarHBondContact O-N 3.36Å; E40-I42 VanDerWaalsContact C-N 3.34Å; E40-I42 PolarHBondContact O-N 2.88Å; I42-Q44 VanDerWaalsContact C-N 3.28Å; I42-Q44 PolarHBondContact O-N 2.81Å; I42-L45 PolarHBondContact O-N 3.24Å; I42-L46 HydrophobicContact CG2-CD1 4.04Å; I42-L46 WeakPolarHBondContact O-CG 3.32Å; I42-L46 PolarHBondContact O-N 2.96Å |
| 43 | N | 98.3 | Very high | 98.3 | Very high | 74 Ų | 74 | 103.9 Ų | 103.9 | 40% | 0.396 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62 | -36.1 | 177.2 | -70.6 | -17.6 | 0 | 0 | 0 | 112.4 | R39 E40 K47 | R39-N43 VanDerWaalsContact O-CG 3.27Å; R39-N43 PolarHBondContact O-N 3.49Å; R39-N43 PolarHBondContact O-ND2 3.16Å; E40-N43 PolarHBondContact O-N 2.99Å; N43-K47 WeakPolarHBondContact O-CG 3.44Å; N43-K47 PolarHBondContact O-N 3.31Å |
| 44 | Q | 98.4 | Very high | 98.3 | Very high | 91 Ų | 91 | 104 Ų | 104 | 43% | 0.425 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.1 | -47.1 | 176.3 | -172.3 | 56.7 | 41.2 | 0 | 0 | 111.1 | E40 R41 I42 L46 K47 D48 | E40-Q44 PolarHBondContact O-N 3.12Å; R41-Q44 PolarHBondContact O-N 3.28Å; I42-Q44 VanDerWaalsContact C-N 3.28Å; I42-Q44 PolarHBondContact O-N 2.81Å; Q44-L46 VanDerWaalsContact C-N 3.31Å; Q44-L46 PolarHBondContact O-N 3.27Å; Q44-K47 WeakPolarHBondContact O-CB 3.27Å; Q44-K47 PolarHBondContact O-N 2.95Å; Q44-K47 VanDerWaalsContact O-N 3.11Å; Q44-D48 PolarHBondContact NE2-OD1 3.48Å; Q44-D48 PolarHBondContact O-N 2.82Å |
| 45 | L | 98.6 | Very high | 98.2 | Very high | 112 Ų | 112 | 101.4 Ų | 101.4 | 59% | 0.586 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -58 | -41.5 | 177.4 | -178.9 | 63.1 | 0 | 0 | 0 | 112.4 | R41 I42 D48 V49 | R41-L45 WeakPolarHBondContact O-CB 3.42Å; R41-L45 PolarHBondContact O-N 3.39Å; I42-L45 PolarHBondContact O-N 3.24Å; L45-D48 PolarHBondContact O-N 3.1Å; L45-V49 WeakPolarHBondContact O-CG2 3.39Å; L45-V49 PolarHBondContact O-N 3.44Å |
| 46 | L | 98.4 | Very high | 98.1 | Very high | 100 Ų | 100 | 99.3 Ų | 99.3 | 52% | 0.524 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 175.9 | -70.2 | 166.6 | 0 | 0 | 0 | 111.6 | I42 Q44 D48 V49 D50 | I42-L46 HydrophobicContact CG2-CD1 4.04Å; I42-L46 WeakPolarHBondContact O-CG 3.32Å; I42-L46 PolarHBondContact O-N 2.96Å; Q44-L46 VanDerWaalsContact C-N 3.31Å; Q44-L46 PolarHBondContact O-N 3.27Å; L46-D48 VanDerWaalsContact C-N 3.34Å; L46-D48 PolarHBondContact O-N 3.43Å; L46-V49 PolarHBondContact O-N 2.69Å; L46-D50 PolarHBondContact O-N 2.94Å |
| 47 | K | 98.4 | Very high | 97.9 | Very high | 116 Ų | 116 | 101.4 Ų | 101.4 | 50% | 0.504 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.2 | -40.5 | 174.1 | -69.2 | 170.4 | -177.4 | 178.7 | 0 | 112.3 | N43 Q44 V49 D50 N51 | N43-K47 WeakPolarHBondContact O-CG 3.44Å; N43-K47 PolarHBondContact O-N 3.31Å; Q44-K47 WeakPolarHBondContact O-CB 3.27Å; Q44-K47 PolarHBondContact O-N 2.95Å; Q44-K47 VanDerWaalsContact O-N 3.11Å; K47-V49 VanDerWaalsContact C-N 3.31Å; K47-V49 PolarHBondContact O-N 3.18Å; K47-D50 PolarHBondContact O-N 2.63Å; K47-N51 WeakPolarHBondContact O-CB 3.43Å; K47-N51 PolarHBondContact O-N 3.21Å; K47-N51 PolarHBondContact O-ND2 3.07Å |
| 48 | D | 98.2 | Very high | 97.7 | Very high | 81 Ų | 81 | 103.1 Ų | 103.1 | 43% | 0.433 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66 | -36.6 | -179.5 | -63.8 | -24.2 | 0 | 0 | 0 | 111.1 | Q44 L45 L46 G52 | Q44-D48 PolarHBondContact NE2-OD1 3.48Å; Q44-D48 PolarHBondContact O-N 2.82Å; L45-D48 PolarHBondContact O-N 3.1Å; L46-D48 VanDerWaalsContact C-N 3.34Å; L46-D48 PolarHBondContact O-N 3.43Å; D48-G52 PolarHBondContact O-N 2.71Å |
| 49 | V | 98.4 | Very high | 97.6 | Very high | 68 Ų | 68 | 105.8 Ų | 105.8 | 41% | 0.412 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.9 | -52.4 | 171 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | L45 L46 K47 N51 G52 Y53 | L45-V49 WeakPolarHBondContact O-CG2 3.39Å; L45-V49 PolarHBondContact O-N 3.44Å; L46-V49 PolarHBondContact O-N 2.69Å; K47-V49 VanDerWaalsContact C-N 3.31Å; K47-V49 PolarHBondContact O-N 3.18Å; V49-N51 VanDerWaalsContact C-N 3.32Å; V49-N51 PolarHBondContact O-N 2.67Å; V49-G52 PolarHBondContact O-N 2.81Å; V49-G52 VanDerWaalsContact O-N 3.12Å; V49-Y53 HydrophobicContact CG1-CD2 3.76Å; V49-Y53 HydrophobicContact CG1-CE2 3.64Å; V49-Y53 VanDerWaalsContact O-CD2 3.31Å; V49-Y53 WeakPolarHBondContact O-CD2 3.11Å; V49-Y53 PolarHBondContact O-N 3.43Å |
| 50 | D | 98.3 | Very high | 97.3 | Very high | 96 Ų | 96 | 100.7 Ų | 100.7 | 51% | 0.513 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.3 | -45.5 | 177.9 | -71.5 | -26.3 | 0 | 0 | 0 | 111.4 | L46 K47 G52 Y53 N54 | L46-D50 PolarHBondContact O-N 2.94Å; K47-D50 PolarHBondContact O-N 2.63Å; D50-G52 VanDerWaalsContact C-N 3.35Å; D50-G52 PolarHBondContact O-N 3.24Å; D50-Y53 PolarHBondContact O-N 3.21Å; D50-N54 VanDerWaalsContact O-CB 3.31Å; D50-N54 WeakPolarHBondContact O-CB 3.39Å; D50-N54 PolarHBondContact O-N 3.17Å; D50-N54 PolarHBondContact O-ND2 3.49Å |
| 51 | N | 97.9 | Very high | 97.2 | Very high | 90 Ų | 90 | 98.1 Ų | 98.1 | 48% | 0.481 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 176.6 | -71.5 | -28.7 | 0 | 0 | 0 | 111.7 | K47 V49 N54 M55 | K47-N51 WeakPolarHBondContact O-CB 3.43Å; K47-N51 PolarHBondContact O-N 3.21Å; K47-N51 PolarHBondContact O-ND2 3.07Å; V49-N51 VanDerWaalsContact C-N 3.32Å; V49-N51 PolarHBondContact O-N 2.67Å; N51-N54 PolarHBondContact O-N 3.29Å; N51-M55 VanDerWaalsContact O-CB 3.31Å; N51-M55 WeakPolarHBondContact O-CB 3.32Å; N51-M55 VanDerWaalsContact O-CG 3.25Å; N51-M55 WeakPolarHBondContact O-CG 3.18Å; N51-M55 PolarHBondContact O-N 2.75Å |
| 52 | G | 97.9 | Very high | 96.9 | Very high | 42 Ų | 42 | 98.5 Ų | 98.5 | 43% | 0.433 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.3 | -50.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D48 V49 D50 M55 A56 | D48-G52 PolarHBondContact O-N 2.71Å; V49-G52 PolarHBondContact O-N 2.81Å; V49-G52 VanDerWaalsContact O-N 3.12Å; D50-G52 VanDerWaalsContact C-N 3.35Å; D50-G52 PolarHBondContact O-N 3.24Å; G52-M55 PolarHBondContact O-N 3.22Å; G52-A56 WeakPolarHBondContact O-CB 3.38Å; G52-A56 PolarHBondContact O-N 3.42Å |
| 53 | Y | 97.6 | Very high | 96.6 | Very high | 164 Ų | 164 | 97.3 Ų | 97.3 | 64% | 0.643 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64 | -44.8 | 176.1 | -78.7 | -69 | 0 | 0 | 0 | 112.3 | V49 D50 M55 A56 L57 | V49-Y53 HydrophobicContact CG1-CD2 3.76Å; V49-Y53 HydrophobicContact CG1-CE2 3.64Å; V49-Y53 VanDerWaalsContact O-CD2 3.31Å; V49-Y53 WeakPolarHBondContact O-CD2 3.11Å; V49-Y53 PolarHBondContact O-N 3.43Å; D50-Y53 PolarHBondContact O-N 3.21Å; Y53-M55 VanDerWaalsContact C-N 3.35Å; Y53-M55 PolarHBondContact O-N 2.98Å; Y53-A56 PolarHBondContact O-N 2.94Å; Y53-L57 WeakPolarHBondContact O-CB 3.27Å; Y53-L57 WeakPolarHBondContact O-CG 3.41Å; Y53-L57 PolarHBondContact O-N 3.48Å |
| 54 | N | 97.6 | Very high | 96.3 | Very high | 85 Ų | 85 | 95.9 Ų | 95.9 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.8 | -44.3 | 177.3 | -75.4 | -39.7 | 0 | 0 | 0 | 111.7 | D50 N51 L57 I58 | D50-N54 VanDerWaalsContact O-CB 3.31Å; D50-N54 WeakPolarHBondContact O-CB 3.39Å; D50-N54 PolarHBondContact O-N 3.17Å; D50-N54 PolarHBondContact O-ND2 3.49Å; N51-N54 PolarHBondContact O-N 3.29Å; N54-L57 PolarHBondContact O-N 3.12Å; N54-I58 WeakPolarHBondContact O-CB 3.3Å; N54-I58 WeakPolarHBondContact O-CD1 3.42Å; N54-I58 VanDerWaalsContact O-CG1 3.25Å; N54-I58 WeakPolarHBondContact O-CG1 3.29Å; N54-I58 PolarHBondContact O-N 2.93Å |
| 55 | M | 96.9 | Very high | 96.1 | Very high | 103 Ų | 103 | 97.7 Ų | 97.7 | 51% | 0.507 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.7 | -38.9 | 176.1 | -75.3 | -62.5 | -63.9 | 0 | 0 | 112.5 | N51 G52 Y53 K59 | N51-M55 VanDerWaalsContact O-CB 3.31Å; N51-M55 WeakPolarHBondContact O-CB 3.32Å; N51-M55 VanDerWaalsContact O-CG 3.25Å; N51-M55 WeakPolarHBondContact O-CG 3.18Å; N51-M55 PolarHBondContact O-N 2.75Å; G52-M55 PolarHBondContact O-N 3.22Å; Y53-M55 VanDerWaalsContact C-N 3.35Å; Y53-M55 PolarHBondContact O-N 2.98Å; M55-K59 VanDerWaalsContact O-CG 3.26Å; M55-K59 WeakPolarHBondContact O-CG 3.35Å; M55-K59 PolarHBondContact O-N 2.97Å; M55-K59 VanDerWaalsContact O-N 3.1Å |
| 56 | A | 95 | Very high | 95.8 | Very high | 47 Ų | 47 | 98.9 Ų | 98.9 | 39% | 0.388 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.7 | -45.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | G52 Y53 I58 K59 L60 | G52-A56 WeakPolarHBondContact O-CB 3.38Å; G52-A56 PolarHBondContact O-N 3.42Å; Y53-A56 PolarHBondContact O-N 2.94Å; A56-I58 PolarHBondContact O-N 3.03Å; A56-K59 PolarHBondContact O-N 3.16Å; A56-L60 WeakPolarHBondContact O-CG 3.39Å; A56-L60 PolarHBondContact O-N 2.92Å; A56-L60 VanDerWaalsContact O-N 3.14Å |
| 57 | L | 94.8 | Very high | 95.3 | Very high | 83 Ų | 83 | 98.2 Ų | 98.2 | 44% | 0.435 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.3 | -36.9 | 177.9 | -71.3 | 171.7 | 0 | 0 | 0 | 113 | Y53 N54 L60 R65 | Y53-L57 WeakPolarHBondContact O-CB 3.27Å; Y53-L57 WeakPolarHBondContact O-CG 3.41Å; Y53-L57 PolarHBondContact O-N 3.48Å; N54-L57 PolarHBondContact O-N 3.12Å; L57-L60 PolarHBondContact O-N 3.11Å; L57-R65 VanDerWaalsContact O-CD 3.25Å; L57-R65 WeakPolarHBondContact O-CD 3.45Å; L57-R65 PolarHBondContact O-NE 3Å |
| 58 | I | 94.8 | Very high | 95 | Very high | 127 Ų | 127 | 96.5 Ų | 96.5 | 65% | 0.651 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -68.4 | -39.2 | 176.1 | -69.9 | 164.1 | 0 | 0 | 0 | 111 | N54 A56 L60 | N54-I58 WeakPolarHBondContact O-CB 3.3Å; N54-I58 WeakPolarHBondContact O-CD1 3.42Å; N54-I58 VanDerWaalsContact O-CG1 3.25Å; N54-I58 WeakPolarHBondContact O-CG1 3.29Å; N54-I58 PolarHBondContact O-N 2.93Å; A56-I58 PolarHBondContact O-N 3.03Å; I58-L60 VanDerWaalsContact C-N 3.27Å; I58-L60 PolarHBondContact O-N 2.85Å |
| 59 | K | 95.6 | Very high | 94.5 | Very high | 164 Ų | 164 | 101 Ų | 101 | 71% | 0.713 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.6 | -27.5 | 175.6 | -73.7 | 172.2 | -179.7 | -176.6 | 0 | 113.1 | M55 A56 | M55-K59 VanDerWaalsContact O-CG 3.26Å; M55-K59 WeakPolarHBondContact O-CG 3.35Å; M55-K59 PolarHBondContact O-N 2.97Å; M55-K59 VanDerWaalsContact O-N 3.1Å; A56-K59 PolarHBondContact O-N 3.16Å |
| 60 | L | 93.5 | Very high | 94 | Very high | 66 Ų | 66 | 102.5 Ų | 102.5 | 35% | 0.346 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -79.6 | 125.3 | -178.2 | -72.8 | 169.6 | 0 | 0 | 0 | 112.4 | A56 L57 I58 V64 R65 | A56-L60 WeakPolarHBondContact O-CG 3.39Å; A56-L60 PolarHBondContact O-N 2.92Å; A56-L60 VanDerWaalsContact O-N 3.14Å; L57-L60 PolarHBondContact O-N 3.11Å; I58-L60 VanDerWaalsContact C-N 3.27Å; I58-L60 PolarHBondContact O-N 2.85Å; L60-V64 HydrophobicContact CD2-CG1 4.09Å; L60-R65 HydrophobicContact CB-CG 3.71Å; L60-R65 HydrophobicContact CD1-CG 4.43Å; L60-R65 PolarHBondContact O-NE 2.95Å; L60-R65 PolarHBondContact O-NH2 3.38Å |
| 61 | P | 95.7 | Very high | 93.5 | Very high | 81 Ų | 81 | 104.4 Ų | 104.4 | 53% | 0.526 | 52% | 0.521 | S | S | . | . | trans | -55.1 | 147.1 | 173.4 | -25.4 | 34.5 | 0 | 0 | 0 | 112.2 | A63 V64 R65 | P61-A63 VanDerWaalsContact C-N 3.27Å; P61-A63 PolarHBondContact O-N 3.13Å; P61-V64 HydrophobicContact CB-CG2 4.24Å; P61-V64 HydrophobicContact CG-CG2 4.34Å; P61-V64 PolarHBondContact O-N 2.89Å; P61-R65 PolarHBondContact O-N 2.9Å; P61-R65 VanDerWaalsContact O-N 3.08Å | ||
| 62 | R | 92.5 | Very high | 92.8 | Very high | 178 Ų | 178 | 104.3 Ų | 104.3 | 67% | 0.672 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -56.5 | -39.2 | -176.3 | -174.1 | -180 | 177.8 | -177 | 2.9 | 112.9 | V64 R65 Q66 | R62-V64 PolarHBondContact O-N 2.83Å; R62-R65 PolarHBondContact O-N 2.94Å; R62-Q66 WeakPolarHBondContact O-CG 3.37Å; R62-Q66 PolarHBondContact O-N 2.64Å; R62-Q66 VanDerWaalsContact O-N 3.13Å |
| 63 | A | 92.6 | Very high | 92 | Very high | 76 Ų | 76 | 107.1 Ų | 107.1 | 63% | 0.628 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.2 | -43.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | P61 Q66 M67 | P61-A63 VanDerWaalsContact C-N 3.27Å; P61-A63 PolarHBondContact O-N 3.13Å; A63-Q66 PolarHBondContact O-N 3.12Å; A63-M67 PolarHBondContact O-N 2.84Å |
| 64 | V | 91.9 | Very high | 91 | Very high | 43 Ų | 43 | 101.2 Ų | 101.2 | 26% | 0.261 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.8 | -40.5 | 177.7 | -178.2 | 0 | 0 | 0 | 0 | 111 | L60 P61 R62 Q66 M67 L72 | L60-V64 HydrophobicContact CD2-CG1 4.09Å; P61-V64 HydrophobicContact CB-CG2 4.24Å; P61-V64 HydrophobicContact CG-CG2 4.34Å; P61-V64 PolarHBondContact O-N 2.89Å; R62-V64 PolarHBondContact O-N 2.83Å; V64-Q66 PolarHBondContact O-N 3.2Å; V64-M67 WeakPolarHBondContact O-CB 3.13Å; V64-M67 PolarHBondContact O-N 2.8Å; V64-L72 HydrophobicContact CG1-CD1 3.71Å; V64-L72 HydrophobicContact CG1-CD2 3.72Å; V64-L72 HydrophobicContact CG1-CG 4.38Å |
| 65 | R | 92.6 | Very high | 89.3 | Confident | 130 Ų | 130 | 101.4 Ų | 101.4 | 49% | 0.491 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.4 | -16.8 | 175.8 | -74.1 | -169.9 | -81.9 | 150 | -10.9 | 114.9 | L57 L60 P61 R62 | L57-R65 VanDerWaalsContact O-CD 3.25Å; L57-R65 WeakPolarHBondContact O-CD 3.45Å; L57-R65 PolarHBondContact O-NE 3Å; L60-R65 HydrophobicContact CB-CG 3.71Å; L60-R65 HydrophobicContact CD1-CG 4.43Å; L60-R65 PolarHBondContact O-NE 2.95Å; L60-R65 PolarHBondContact O-NH2 3.38Å; P61-R65 PolarHBondContact O-N 2.9Å; P61-R65 VanDerWaalsContact O-N 3.08Å; R62-R65 PolarHBondContact O-N 2.94Å |
| 66 | Q | 92.5 | Very high | 87.4 | Confident | 137 Ų | 137 | 101.5 Ų | 101.5 | 64% | 0.64 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -99 | -6.9 | 177.3 | -70.5 | 178.8 | -50.6 | 0 | 0 | 112.9 | R62 A63 V64 | R62-Q66 WeakPolarHBondContact O-CG 3.37Å; R62-Q66 PolarHBondContact O-N 2.64Å; R62-Q66 VanDerWaalsContact O-N 3.13Å; A63-Q66 PolarHBondContact O-N 3.12Å; V64-Q66 PolarHBondContact O-N 3.2Å |
| 67 | M | 89.4 | Confident | 85.6 | Confident | 86 Ų | 86 | 106.2 Ų | 106.2 | 42% | 0.424 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -75.5 | 157.3 | 176.8 | -163.1 | 167.2 | 74.2 | 0 | 0 | 111.1 | A63 V64 W69 L72 | A63-M67 PolarHBondContact O-N 2.84Å; V64-M67 WeakPolarHBondContact O-CB 3.13Å; V64-M67 PolarHBondContact O-N 2.8Å; M67-W69 PolarHBondContact O-N 3.16Å; M67-L72 HydrophobicContact CE-CB 3.67Å; M67-L72 HydrophobicContact CE-CD1 3.81Å; M67-L72 HydrophobicContact CE-CG 4.3Å |
| 68 | N | 91 | Very high | 83.8 | Confident | 79 Ų | 79 | 109.1 Ų | 109.1 | 42% | 0.422 | 56% | 0.558 | S | S | . | * | trans | -63.6 | 125.5 | 173.1 | -174.3 | -34.6 | 0 | 0 | 0 | 109.7 | L70 Q71 L72 | N68-L70 VanDerWaalsContact C-N 3.25Å; N68-L70 PolarHBondContact O-N 2.95Å; N68-L70 WeakPolarHBondContact OD1-CB 3.43Å; N68-L70 PolarHBondContact OD1-N 3.24Å; N68-Q71 HydrophobicContact CB-CB 4.44Å; N68-Q71 HydrophobicContact CB-CG 4.13Å; N68-Q71 WeakPolarHBondContact O-CB 3.4Å; N68-Q71 PolarHBondContact O-N 3.22Å; N68-L72 PolarHBondContact O-N 3.46Å | ||
| 69 | W | 88.4 | Confident | 81.7 | Confident | 175 Ų | 175 | 106.5 Ų | 106.5 | 66% | 0.663 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -60.9 | -32 | -175.4 | 74.2 | -89.3 | 0 | 0 | 0 | 113.3 | M67 Q71 L72 C73 | M67-W69 PolarHBondContact O-N 3.16Å; W69-Q71 VanDerWaalsContact C-N 3.32Å; W69-Q71 PolarHBondContact O-N 2.69Å; W69-L72 PolarHBondContact O-N 3.42Å; W69-C73 PolarHBondContact O-N 3Å; W69-C73 PolarHBondContact O-SG 3.44Å |
| 70 | L | 88.4 | Confident | 79.4 | Confident | 101 Ų | 101 | 105 Ų | 105 | 53% | 0.529 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.9 | -38.7 | 175.4 | -69.5 | 167.2 | 0 | 0 | 0 | 111.5 | N68 L72 C73 G74 | N68-L70 VanDerWaalsContact C-N 3.25Å; N68-L70 PolarHBondContact O-N 2.95Å; N68-L70 WeakPolarHBondContact OD1-CB 3.43Å; N68-L70 PolarHBondContact OD1-N 3.24Å; L70-L72 VanDerWaalsContact C-N 3.32Å; L70-C73 PolarHBondContact O-N 3.12Å; L70-G74 PolarHBondContact O-N 3.3Å |
| 71 | Q | 86.6 | Confident | 77.1 | Confident | 135 Ų | 135 | 105.9 Ų | 105.9 | 63% | 0.631 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -70.8 | -30 | 176.5 | -64.8 | 173.7 | -14.9 | 0 | 0 | 111.7 | N68 W69 | N68-Q71 HydrophobicContact CB-CB 4.44Å; N68-Q71 HydrophobicContact CB-CG 4.13Å; N68-Q71 WeakPolarHBondContact O-CB 3.4Å; N68-Q71 PolarHBondContact O-N 3.22Å; W69-Q71 VanDerWaalsContact C-N 3.32Å; W69-Q71 PolarHBondContact O-N 2.69Å |
| 72 | L | 83 | Confident | 74.9 | Confident | 89 Ų | 89 | 104.7 Ų | 104.7 | 47% | 0.466 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -73.7 | -35.7 | 176.3 | -178.2 | 58.7 | 0 | 0 | 0 | 112.6 | V64 M67 N68 W69 L70 G74 | V64-L72 HydrophobicContact CG1-CD1 3.71Å; V64-L72 HydrophobicContact CG1-CD2 3.72Å; V64-L72 HydrophobicContact CG1-CG 4.38Å; M67-L72 HydrophobicContact CE-CB 3.67Å; M67-L72 HydrophobicContact CE-CD1 3.81Å; M67-L72 HydrophobicContact CE-CG 4.3Å; N68-L72 PolarHBondContact O-N 3.46Å; W69-L72 PolarHBondContact O-N 3.42Å; L70-L72 VanDerWaalsContact C-N 3.32Å; L72-G74 PolarHBondContact O-N 2.97Å |
| 73 | C | 81.8 | Confident | 72.8 | Confident | 100 Ų | 100 | 102.4 Ų | 102.4 | 68% | 0.676 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -74.1 | -12.5 | 175.4 | -69.5 | 0 | 0 | 0 | 0 | 113.7 | W69 L70 | W69-C73 PolarHBondContact O-N 3Å; W69-C73 PolarHBondContact O-SG 3.44Å; L70-C73 PolarHBondContact O-N 3.12Å |
| 74 | G | 76 | Confident | 70.8 | Confident | 40 Ų | 40 | 103.7 Ų | 103.7 | 41% | 0.412 | 56% | 0.561 | S | S | . | * | trans | 80.9 | 157.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L70 L72 | L70-G74 PolarHBondContact O-N 3.3Å; L72-G74 PolarHBondContact O-N 2.97Å | ||
| 75 | D | 62.5 | Low | 68.8 | Low | 89 Ų | 89 | 105.8 Ų | 105.8 | 48% | 0.476 | 57% | 0.571 | S | S | . | * | trans | -61 | 133.1 | 173.2 | -55.9 | -47.7 | 0 | 0 | 0 | 109.5 | D77 K78 | D75-D77 PolarHBondContact O-N 3.23Å; D75-K78 HydrophobicContact CB-CD 4.43Å; D75-K78 PolarHBondContact O-N 3.38Å; D75-K78 IonicContact OD2-NZ 2.71Å; D75-K78 PolarHBondContact OD2-NZ 3.32Å | ||
| 76 | P | 57.7 | Low | 66.9 | Low | 105 Ų | 105 | 104.1 Ų | 104.1 | 68% | 0.682 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -58.9 | -25.6 | -178.9 | 23.7 | -33.7 | 0 | 0 | 0 | 113 | K78 S79 | P76-K78 VanDerWaalsContact C-N 3.27Å; P76-K78 PolarHBondContact O-N 2.91Å; P76-S79 PolarHBondContact O-OG 3.29Å |
| 77 | D | 57 | Low | 65.1 | Low | 147 Ų | 147 | 100.7 Ų | 100.7 | 79% | 0.786 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -76 | -3.6 | -179.8 | -56.2 | -44 | 0 | 0 | 0 | 114.6 | D75 | D75-D77 PolarHBondContact O-N 3.23Š|
| 78 | K | 55.9 | Low | 63.5 | Low | 144 Ų | 144 | 102.6 Ų | 102.6 | 63% | 0.626 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -115.4 | 10.3 | -179.7 | -67 | 174.7 | -172.3 | 149 | 0 | 114.1 | D75 P76 N80 A81 | D75-K78 HydrophobicContact CB-CD 4.43Å; D75-K78 PolarHBondContact O-N 3.38Å; D75-K78 IonicContact OD2-NZ 2.71Å; D75-K78 PolarHBondContact OD2-NZ 3.32Å; P76-K78 VanDerWaalsContact C-N 3.27Å; P76-K78 PolarHBondContact O-N 2.91Å; K78-N80 PolarHBondContact O-N 3.29Å; K78-A81 PolarHBondContact O-N 2.97Å |
| 79 | S | 51.9 | Low | 61.8 | Low | 72 Ų | 72 | 105.1 Ų | 105.1 | 50% | 0.503 | 57% | 0.57 | S | S | . | * | G | 310 helix | trans | -64.9 | -16.7 | -176.6 | 49.4 | 0 | 0 | 0 | 0 | 115 | P76 A81 A82 | P76-S79 PolarHBondContact O-OG 3.29Å; S79-A81 PolarHBondContact O-N 2.98Å; S79-A82 PolarHBondContact O-N 2.91Å |
| 80 | N | 46.4 | Very low | 60.1 | Low | 132 Ų | 132 | 106.4 Ų | 106.4 | 71% | 0.706 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -63.7 | -7 | 177.6 | -61.5 | -13.5 | 0 | 0 | 0 | 114.8 | K78 | K78-N80 PolarHBondContact O-N 3.29Š|
| 81 | A | 45.8 | Very low | 58.6 | Low | 85 Ų | 85 | 107 Ų | 107 | 70% | 0.702 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -90.7 | -18.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | K78 S79 | K78-A81 PolarHBondContact O-N 2.97Å; S79-A81 PolarHBondContact O-N 2.98Å |
| 82 | A | 48.7 | Very low | 57 | Low | 56 Ų | 56 | 106.6 Ų | 106.6 | 46% | 0.463 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.5 | -23.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S79 V84 D85 D86 | S79-A82 PolarHBondContact O-N 2.91Å; A82-V84 PolarHBondContact O-N 3.44Å; A82-V84 VanDerWaalsContact O-N 3.12Å; A82-D85 PolarHBondContact O-N 2.91Å; A82-D86 PolarHBondContact O-N 3.48Å |
| 83 | E | 49.2 | Very low | 55.8 | Low | 130 Ų | 130 | 104.9 Ų | 104.9 | 61% | 0.607 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -54.8 | -33.3 | -178.5 | -170.9 | 172.2 | -166.1 | 0 | 0 | 112.9 | D85 V87 | E83-D85 VanDerWaalsContact C-N 3.3Å; E83-D85 PolarHBondContact O-N 3.22Å; E83-V87 HydrophobicContact CG-CG2 4.27Å; E83-V87 WeakPolarHBondContact O-CB 3.31Å; E83-V87 WeakPolarHBondContact O-CG2 3.45Å; E83-V87 PolarHBondContact O-N 2.97Å |
| 84 | V | 50.3 | Low | 54.7 | Low | 103 Ų | 103 | 102.8 Ų | 102.8 | 62% | 0.624 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.7 | -29.4 | -179.7 | -173.1 | 0 | 0 | 0 | 0 | 113.1 | A82 | A82-V84 PolarHBondContact O-N 3.44Å; A82-V84 VanDerWaalsContact O-N 3.12Å |
| 85 | D | 49.3 | Very low | 54.2 | Low | 86 Ų | 86 | 105.9 Ų | 105.9 | 46% | 0.46 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -89.2 | -36.4 | -177.9 | -164.8 | 57.2 | 0 | 0 | 0 | 112 | A82 E83 K88 R89 | A82-D85 PolarHBondContact O-N 2.91Å; E83-D85 VanDerWaalsContact C-N 3.3Å; E83-D85 PolarHBondContact O-N 3.22Å; D85-K88 PolarHBondContact O-N 3.03Å; D85-R89 WeakPolarHBondContact O-CB 3.41Å; D85-R89 PolarHBondContact O-N 3.08Å; D85-R89 IonicContact OD2-CZ 2.78Å; D85-R89 IonicContact OD2-NH1 2.75Å; D85-R89 PolarHBondContact OD2-NH1 3.19Å; D85-R89 IonicContact OD2-NH2 3.08Å; D85-R89 PolarHBondContact OD2-NH2 2.87Å |
| 86 | D | 53.7 | Low | 53.9 | Low | 95 Ų | 95 | 107.4 Ų | 107.4 | 51% | 0.508 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -72.4 | -31.5 | 172.9 | -81.1 | -39.9 | 0 | 0 | 0 | 112.9 | A82 R89 R90 | A82-D86 PolarHBondContact O-N 3.48Å; D86-R89 PolarHBondContact O-N 3.38Å; D86-R89 IonicContact OD1-CZ 2.67Å; D86-R89 IonicContact OD1-NH1 3.07Å; D86-R89 PolarHBondContact OD1-NH1 3.37Å; D86-R90 WeakPolarHBondContact O-CB 3.41Å; D86-R90 PolarHBondContact O-N 3.27Å |
| 87 | V | 55.1 | Low | 54 | Low | 66 Ų | 66 | 109.4 Ų | 109.4 | 40% | 0.4 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -60.9 | -49.1 | 169.9 | 167.5 | 0 | 0 | 0 | 0 | 110.5 | E83 R89 R90 E91 | E83-V87 HydrophobicContact CG-CG2 4.27Å; E83-V87 WeakPolarHBondContact O-CB 3.31Å; E83-V87 WeakPolarHBondContact O-CG2 3.45Å; E83-V87 PolarHBondContact O-N 2.97Å; V87-R89 PolarHBondContact O-N 3.48Å; V87-R90 PolarHBondContact O-N 3.23Å; V87-R90 VanDerWaalsContact O-N 3.16Å; V87-E91 HydrophobicContact CG1-CG 4.36Å; V87-E91 WeakPolarHBondContact O-CG 3.33Å; V87-E91 PolarHBondContact O-N 2.85Å |
| 88 | K | 54.9 | Low | 54.1 | Low | 125 Ų | 125 | 105.2 Ų | 105.2 | 54% | 0.543 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -57.5 | -48.1 | 175.7 | -89.4 | -176.4 | 171.1 | -178.4 | 0 | 113.1 | D85 R90 E91 E92 | D85-K88 PolarHBondContact O-N 3.03Å; K88-R90 PolarHBondContact O-N 3Å; K88-E91 PolarHBondContact O-N 2.98Å; K88-E92 WeakPolarHBondContact O-CG 3.06Å; K88-E92 PolarHBondContact O-N 3.28Å |
| 89 | R | 55.1 | Low | 54.1 | Low | 132 Ų | 132 | 101.9 Ų | 101.9 | 50% | 0.498 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.3 | -30.6 | 179.4 | -169.3 | 177.5 | -67.1 | 114.6 | 9.2 | 112.3 | D85 D86 V87 A93 | D85-R89 WeakPolarHBondContact O-CB 3.41Å; D85-R89 PolarHBondContact O-N 3.08Å; D85-R89 IonicContact OD2-CZ 2.78Å; D85-R89 IonicContact OD2-NH1 2.75Å; D85-R89 PolarHBondContact OD2-NH1 3.19Å; D85-R89 IonicContact OD2-NH2 3.08Å; D85-R89 PolarHBondContact OD2-NH2 2.87Å; D86-R89 PolarHBondContact O-N 3.38Å; D86-R89 IonicContact OD1-CZ 2.67Å; D86-R89 IonicContact OD1-NH1 3.07Å; D86-R89 PolarHBondContact OD1-NH1 3.37Å; V87-R89 PolarHBondContact O-N 3.48Å; R89-A93 WeakPolarHBondContact O-CB 3.37Å; R89-A93 PolarHBondContact O-N 3.38Å |
| 90 | R | 53.1 | Low | 54.4 | Low | 202 Ų | 202 | 102 Ų | 102 | 76% | 0.762 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -81 | -34.5 | 177.2 | -157.3 | 177.5 | -156.5 | -176.5 | 6.9 | 112.8 | D86 V87 K88 A93 A94 | D86-R90 WeakPolarHBondContact O-CB 3.41Å; D86-R90 PolarHBondContact O-N 3.27Å; V87-R90 PolarHBondContact O-N 3.23Å; V87-R90 VanDerWaalsContact O-N 3.16Å; K88-R90 PolarHBondContact O-N 3Å; R90-A93 PolarHBondContact O-N 3.42Å; R90-A94 WeakPolarHBondContact O-CB 3.45Å; R90-A94 PolarHBondContact O-N 3.07Å |
| 91 | E | 56.6 | Low | 55.1 | Low | 113 Ų | 113 | 98.4 Ų | 98.4 | 53% | 0.528 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.7 | -47 | 169.8 | -73.7 | 174.6 | 170.3 | 0 | 0 | 111 | V87 K88 A93 A94 I95 | V87-E91 HydrophobicContact CG1-CG 4.36Å; V87-E91 WeakPolarHBondContact O-CG 3.33Å; V87-E91 PolarHBondContact O-N 2.85Å; K88-E91 PolarHBondContact O-N 2.98Å; E91-A93 VanDerWaalsContact C-N 3.34Å; E91-A93 PolarHBondContact O-N 3.39Å; E91-A94 PolarHBondContact O-N 3.39Å; E91-I95 WeakPolarHBondContact O-CD1 3.49Å; E91-I95 VanDerWaalsContact O-CG1 3.28Å; E91-I95 WeakPolarHBondContact O-CG1 3.39Å; E91-I95 PolarHBondContact O-N 3.14Å |
| 92 | E | 54.1 | Low | 55.5 | Low | 128 Ų | 128 | 100.8 Ų | 100.8 | 60% | 0.598 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59.4 | -41.8 | 175 | -73 | 176.5 | -176.9 | 0 | 0 | 112.2 | K88 I95 L96 | K88-E92 WeakPolarHBondContact O-CG 3.06Å; K88-E92 PolarHBondContact O-N 3.28Å; E92-I95 PolarHBondContact O-N 3.33Å; E92-L96 WeakPolarHBondContact O-CG 3.38Å; E92-L96 PolarHBondContact O-N 3.43Å; E92-L96 VanDerWaalsContact O-N 3.14Å |
| 93 | A | 56.4 | Low | 55.6 | Low | 53 Ų | 53 | 103 Ų | 103 | 44% | 0.438 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.6 | -41 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R89 R90 E91 L96 E97 | R89-A93 WeakPolarHBondContact O-CB 3.37Å; R89-A93 PolarHBondContact O-N 3.38Å; R90-A93 PolarHBondContact O-N 3.42Å; E91-A93 VanDerWaalsContact C-N 3.34Å; E91-A93 PolarHBondContact O-N 3.39Å; A93-L96 PolarHBondContact O-N 2.86Å; A93-E97 PolarHBondContact O-N 3.23Å |
| 94 | A | 60.1 | Low | 55.8 | Low | 56 Ų | 56 | 102.1 Ų | 102.1 | 46% | 0.463 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.7 | -34.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | R90 E91 E97 S98 | R90-A94 WeakPolarHBondContact O-CB 3.45Å; R90-A94 PolarHBondContact O-N 3.07Å; E91-A94 PolarHBondContact O-N 3.39Å; A94-E97 PolarHBondContact O-N 3.39Å; A94-S98 PolarHBondContact O-N 2.98Å; A94-S98 PolarHBondContact O-OG 3.44Å |
| 95 | I | 65 | Low | 56.1 | Low | 105 Ų | 105 | 99 Ų | 99 | 54% | 0.538 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.5 | -39.7 | 174.1 | -67.2 | 161.6 | 0 | 0 | 0 | 110.8 | E91 E92 S98 V99 | E91-I95 WeakPolarHBondContact O-CD1 3.49Å; E91-I95 VanDerWaalsContact O-CG1 3.28Å; E91-I95 WeakPolarHBondContact O-CG1 3.39Å; E91-I95 PolarHBondContact O-N 3.14Å; E92-I95 PolarHBondContact O-N 3.33Å; I95-S98 PolarHBondContact O-N 2.8Å; I95-S98 PolarHBondContact O-OG 3.15Å; I95-V99 WeakPolarHBondContact O-CG2 3.34Å; I95-V99 PolarHBondContact O-N 2.97Å; I95-V99 VanDerWaalsContact O-N 3.14Å |
| 96 | L | 54.7 | Low | 56.2 | Low | 121 Ų | 121 | 99.6 Ų | 99.6 | 63% | 0.634 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.9 | -39 | 174.8 | -71.1 | 170.1 | 0 | 0 | 0 | 111.9 | E92 A93 V100 | E92-L96 WeakPolarHBondContact O-CG 3.38Å; E92-L96 PolarHBondContact O-N 3.43Å; E92-L96 VanDerWaalsContact O-N 3.14Å; A93-L96 PolarHBondContact O-N 2.86Å; L96-V100 WeakPolarHBondContact O-CB 3.29Å; L96-V100 VanDerWaalsContact O-CG2 3.28Å; L96-V100 WeakPolarHBondContact O-CG2 3.31Å; L96-V100 PolarHBondContact O-N 2.94Å; L96-V100 VanDerWaalsContact O-N 3.1Å |
| 97 | E | 59.9 | Low | 56 | Low | 147 Ų | 147 | 100.4 Ų | 100.4 | 69% | 0.687 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68 | -35.9 | 176.8 | -169.1 | 167 | -173.4 | 0 | 0 | 112.5 | A93 A94 A101 | A93-E97 PolarHBondContact O-N 3.23Å; A94-E97 PolarHBondContact O-N 3.39Å; E97-A101 WeakPolarHBondContact O-CB 3.35Å; E97-A101 PolarHBondContact O-N 3.34Å |
| 98 | S | 59.4 | Low | 55.6 | Low | 59 Ų | 59 | 103.7 Ų | 103.7 | 41% | 0.413 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69 | -41.7 | 175.9 | 69.1 | 0 | 0 | 0 | 0 | 112.9 | A94 I95 V100 A101 E102 | A94-S98 PolarHBondContact O-N 2.98Å; A94-S98 PolarHBondContact O-OG 3.44Å; I95-S98 PolarHBondContact O-N 2.8Å; I95-S98 PolarHBondContact O-OG 3.15Å; S98-V100 PolarHBondContact O-N 3.48Å; S98-A101 PolarHBondContact O-N 3.48Å; S98-E102 PolarHBondContact O-N 3.24Å |
| 99 | V | 57.5 | Low | 55.2 | Low | 73 Ų | 73 | 105.7 Ų | 105.7 | 44% | 0.442 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 174.7 | 170.9 | 0 | 0 | 0 | 0 | 111 | I95 A101 E102 D103 | I95-V99 WeakPolarHBondContact O-CG2 3.34Å; I95-V99 PolarHBondContact O-N 2.97Å; I95-V99 VanDerWaalsContact O-N 3.14Å; V99-A101 VanDerWaalsContact C-N 3.33Å; V99-A101 PolarHBondContact O-N 3.14Å; V99-E102 PolarHBondContact O-N 3.42Å; V99-D103 PolarHBondContact O-N 3.03Å |
| 100 | V | 58.1 | Low | 54.7 | Low | 75 Ų | 75 | 103.5 Ų | 103.5 | 46% | 0.455 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.2 | -39.1 | 175.7 | 169.5 | 0 | 0 | 0 | 0 | 111.5 | L96 S98 H104 | L96-V100 WeakPolarHBondContact O-CB 3.29Å; L96-V100 VanDerWaalsContact O-CG2 3.28Å; L96-V100 WeakPolarHBondContact O-CG2 3.31Å; L96-V100 PolarHBondContact O-N 2.94Å; L96-V100 VanDerWaalsContact O-N 3.1Å; S98-V100 PolarHBondContact O-N 3.48Å; V100-H104 PolarHBondContact O-CD2 2.95Å; V100-H104 PolarHBondContact O-N 3.4Å; V100-H104 VanDerWaalsContact O-N 3.1Å |
| 101 | A | 59.7 | Low | 54.1 | Low | 56 Ų | 56 | 99.7 Ų | 99.7 | 46% | 0.463 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.5 | -37.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | E97 S98 V99 A105 | E97-A101 WeakPolarHBondContact O-CB 3.35Å; E97-A101 PolarHBondContact O-N 3.34Å; S98-A101 PolarHBondContact O-N 3.48Å; V99-A101 VanDerWaalsContact C-N 3.33Å; V99-A101 PolarHBondContact O-N 3.14Å; A101-A105 WeakPolarHBondContact O-CB 3.48Å; A101-A105 PolarHBondContact O-N 2.98Å |
| 102 | E | 54.7 | Low | 53.2 | Low | 135 Ų | 135 | 103.5 Ų | 103.5 | 63% | 0.631 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67.8 | -42.6 | 175.3 | -75.6 | -167.9 | 120 | 0 | 0 | 112.3 | S98 V99 H104 A105 V106 | S98-E102 PolarHBondContact O-N 3.24Å; V99-E102 PolarHBondContact O-N 3.42Å; E102-H104 VanDerWaalsContact C-N 3.35Å; E102-H104 PolarHBondContact O-N 2.96Å; E102-A105 CarbonylContact O-C 3.58Å; E102-A105 WeakPolarHBondContact O-CA 3.36Å; E102-A105 WeakPolarHBondContact O-CB 3.35Å; E102-A105 PolarHBondContact O-N 3.47Å; E102-V106 WeakPolarHBondContact O-CG2 3.26Å; E102-V106 PolarHBondContact O-N 2.69Å |
| 103 | D | 50.7 | Low | 52.6 | Low | 104 Ų | 104 | 106.7 Ų | 106.7 | 56% | 0.556 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -60.7 | -42.2 | 174.8 | -85.1 | -20.1 | 0 | 0 | 0 | 112.1 | V99 A105 V106 L107 | V99-D103 PolarHBondContact O-N 3.03Å; D103-A105 VanDerWaalsContact C-N 3.33Å; D103-A105 PolarHBondContact O-N 3.3Å; D103-V106 PolarHBondContact O-N 2.67Å; D103-L107 PolarHBondContact O-N 3.38Å |
| 104 | H | 54.1 | Low | 51.6 | Low | 111 Ų | 111 | 111 Ų | 111 | 51% | 0.514 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -64.8 | -35 | 172.8 | -70.8 | -44.9 | 0 | 0 | 0 | 112.6 | V100 E102 L108 | V100-H104 PolarHBondContact O-CD2 2.95Å; V100-H104 PolarHBondContact O-N 3.4Å; V100-H104 VanDerWaalsContact O-N 3.1Å; E102-H104 VanDerWaalsContact C-N 3.35Å; E102-H104 PolarHBondContact O-N 2.96Å; H104-L108 WeakPolarHBondContact O-CG 3.21Å; H104-L108 PolarHBondContact O-N 2.86Å; H104-L108 VanDerWaalsContact O-N 3.13Å |
| 105 | A | 55.4 | Low | 50.3 | Low | 38 Ų | 38 | 115 Ų | 115 | 31% | 0.314 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -71.1 | -32.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A101 E102 D103 K109 | A101-A105 WeakPolarHBondContact O-CB 3.48Å; A101-A105 PolarHBondContact O-N 2.98Å; E102-A105 CarbonylContact O-C 3.58Å; E102-A105 WeakPolarHBondContact O-CA 3.36Å; E102-A105 WeakPolarHBondContact O-CB 3.35Å; E102-A105 PolarHBondContact O-N 3.47Å; D103-A105 VanDerWaalsContact C-N 3.33Å; D103-A105 PolarHBondContact O-N 3.3Å; A105-K109 WeakPolarHBondContact O-CG 3.35Å; A105-K109 PolarHBondContact O-N 3.06Å |
| 106 | V | 52.6 | Low | 48.7 | Very low | 98 Ų | 98 | 121.8 Ų | 121.8 | 59% | 0.594 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -69.9 | -43 | 173.4 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | E102 D103 L108 K109 S110 | E102-V106 WeakPolarHBondContact O-CG2 3.26Å; E102-V106 PolarHBondContact O-N 2.69Å; D103-V106 PolarHBondContact O-N 2.67Å; V106-L108 VanDerWaalsContact C-N 3.31Å; V106-L108 PolarHBondContact O-N 3.11Å; V106-K109 PolarHBondContact O-N 3.36Å; V106-S110 PolarHBondContact O-N 2.89Å |
| 107 | L | 48.9 | Very low | 47.7 | Very low | 111 Ų | 111 | 126.3 Ų | 126.3 | 58% | 0.581 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -58.3 | -38.4 | 173.9 | -98.3 | 164.4 | 0 | 0 | 0 | 113.2 | D103 S110 | D103-L107 PolarHBondContact O-N 3.38Å; L107-S110 PolarHBondContact O-OG 3.27Å; L107-S110 VanDerWaalsContact O-OG 3.06Å |
| 108 | L | 46 | Very low | 46.2 | Very low | 136 Ų | 136 | 128.9 Ų | 128.9 | 71% | 0.712 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -77 | -21.2 | 179.6 | -70.1 | 172.1 | 0 | 0 | 0 | 114 | H104 V106 | H104-L108 WeakPolarHBondContact O-CG 3.21Å; H104-L108 PolarHBondContact O-N 2.86Å; H104-L108 VanDerWaalsContact O-N 3.13Å; V106-L108 VanDerWaalsContact C-N 3.31Å; V106-L108 PolarHBondContact O-N 3.11Å |
| 109 | K | 46.9 | Very low | 44.7 | Very low | 166 Ų | 166 | 129.9 Ų | 129.9 | 72% | 0.722 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -83 | -25.5 | 177.9 | -73.1 | 169.5 | -172.4 | 169.6 | 0 | 113.2 | A105 V106 | A105-K109 WeakPolarHBondContact O-CG 3.35Å; A105-K109 PolarHBondContact O-N 3.06Å; V106-K109 PolarHBondContact O-N 3.36Å |
| 110 | S | 44 | Very low | 43.2 | Very low | 87 Ų | 87 | 130.5 Ų | 130.5 | 61% | 0.608 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -76.4 | -24.3 | -178.7 | 65.4 | 0 | 0 | 0 | 0 | 114.2 | V106 L107 K112 | V106-S110 PolarHBondContact O-N 2.89Å; L107-S110 PolarHBondContact O-OG 3.27Å; L107-S110 VanDerWaalsContact O-OG 3.06Å; S110-K112 VanDerWaalsContact C-N 3.33Å; S110-K112 PolarHBondContact O-N 3.25Å |
| 111 | V | 41.2 | Very low | 41.9 | Very low | 122 Ų | 122 | 131.5 Ų | 131.5 | 74% | 0.739 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -9.6 | -174.8 | 177.3 | 0 | 0 | 0 | 0 | 113.9 | ||
| 112 | K | 37.8 | Very low | 40.4 | Very low | 193 Ų | 193 | 138.3 Ų | 138.3 | 84% | 0.839 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | 24.9 | -168.2 | -112.6 | 177.8 | -176.4 | 175.7 | 0 | 117.1 | S110 | S110-K112 VanDerWaalsContact C-N 3.33Å; S110-K112 PolarHBondContact O-N 3.25Å |
| 113 | K | 41.1 | Very low | 39.1 | Very low | 194 Ų | 194 | 137.8 Ų | 137.8 | 84% | 0.843 | 75% | 0.75 | S | S | * | * | trans | -135.6 | 76.9 | 175.5 | -78.2 | -173.2 | 177.1 | 174.2 | 0 | 115.1 | ||||
| 114 | T | 35 | Very low | 37.9 | Very low | 144 Ų | 144 | 136 Ų | 136 | 88% | 0.883 | 76% | 0.757 | S | S | * | * | trans | -159.7 | 67.5 | 146.9 | 40.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 115 | T | 33.1 | Very low | 36.5 | Very low | 141 Ų | 141 | 137.4 Ų | 137.4 | 87% | 0.865 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -142.7 | 98.6 | 160 | 23 | 0 | 0 | 0 | 0 | 113.1 | ||
| 116 | R | 32.3 | Very low | 35.2 | Very low | 247 Ų | 247 | 142.6 Ų | 142.6 | 93% | 0.932 | 80% | 0.799 | S | S | * | * | trans | 43.6 | 105.5 | 150.9 | -64.2 | -170.7 | 172.1 | -163.4 | -3.8 | 120.4 | ||||
| 117 | K | 32.5 | Very low | 34.1 | Very low | 215 Ų | 215 | 145.3 Ų | 145.3 | 94% | 0.935 | 81% | 0.806 | S | S | * | * | trans | -44.3 | 123.4 | 147.7 | 175.4 | -176.3 | -174 | 176.6 | 0 | 113 | ||||
| 118 | K | 30 | Very low | 33.1 | Very low | 201 Ų | 201 | 145.6 Ų | 145.6 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | -174.2 | 105.4 | 122.4 | -165.2 | 175.3 | -173.4 | -176.4 | 0 | 113.4 | |||||
| 119 | G | 27.6 | Very low | 32.3 | Very low | 81 Ų | 81 | 144.7 Ų | 144.7 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | 66.3 | 143.4 | 138 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 120 | G | 26.1 | Very low | 31.5 | Very low | 85 Ų | 85 | 143.6 Ų | 143.6 | 88% | 0.876 | 81% | 0.809 | S | S | * | * | trans | 113.3 | 107.4 | 155.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 121 | A | 29.4 | Very low | 30.7 | Very low | 96 Ų | 96 | 146 Ų | 146 | 79% | 0.793 | 82% | 0.815 | S | S | * | * | trans | -91.3 | 140.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 122 | K | 29.7 | Very low | 30.1 | Very low | 199 Ų | 199 | 145.3 Ų | 145.3 | 87% | 0.865 | 82% | 0.815 | S | S | * | * | 170.1 | 136.9 | 114.7 | -93.1 | 178.3 | -179.6 | -175.3 | 0 | 112.4 | |||||
| 123 | S | 27 | Very low | 29.8 | Very low | 125 Ų | 125 | 141.5 Ų | 141.5 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | 43.3 | 129.9 | 135.8 | -161.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 124 | G | 25.4 | Very low | 29.4 | Very low | 67 Ų | 67 | 143.2 Ų | 143.2 | 69% | 0.691 | 81% | 0.81 | S | S | * | * | 130 | 103.4 | 129.8 | 0 | 0 | 0 | 0 | 0 | 118 | |||||
| 125 | C | 25.5 | Very low | 29.4 | Very low | 139 Ų | 139 | 145.7 Ų | 145.7 | 94% | 0.939 | 81% | 0.808 | S | S | * | * | trans | 50 | 147.3 | 147.4 | -136.3 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 126 | N | 27.9 | Very low | 29.3 | Very low | 147 Ų | 147 | 145.7 Ų | 145.7 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | trans | -95.1 | 149.4 | 170.6 | -157.4 | 9.2 | 0 | 0 | 0 | 108.9 | ||||
| 127 | E | 28.1 | Very low | 29.5 | Very low | 155 Ų | 155 | 144.9 Ų | 144.9 | 72% | 0.724 | 81% | 0.805 | S | S | * | * | trans | 154 | 130 | 143.5 | -81.2 | -122.4 | 117.3 | 0 | 0 | 114.4 | ||||
| 128 | N | 28.6 | Very low | 29.6 | Very low | 118 Ų | 118 | 141.7 Ų | 141.7 | 63% | 0.631 | 80% | 0.804 | S | S | * | * | trans | 73.8 | 119.2 | 134.5 | -68.1 | -18.6 | 0 | 0 | 0 | 125.3 | ||||
| 129 | V | 29 | Very low | 29.7 | Very low | 117 Ų | 117 | 136.2 Ų | 136.2 | 71% | 0.709 | 80% | 0.797 | S | S | * | * | 90.7 | 106.7 | 118.6 | 171.4 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 130 | L | 29.8 | Very low | 30.1 | Very low | 143 Ų | 143 | 144.5 Ų | 144.5 | 75% | 0.749 | 80% | 0.803 | S | S | * | * | trans | 61.6 | 149.3 | 133.8 | -70.9 | 173 | 0 | 0 | 0 | 125.1 | ||||
| 131 | N | 28.1 | Very low | 30.5 | Very low | 138 Ų | 138 | 150 Ų | 150 | 74% | 0.738 | 80% | 0.802 | S | S | * | * | trans | 79.2 | 106.4 | 155.2 | -58.3 | -25.4 | 0 | 0 | 0 | 118.9 | ||||
| 132 | S | 29 | Very low | 31.3 | Very low | 106 Ų | 106 | 151.2 Ų | 151.2 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | 91.2 | 164.2 | 90.8 | -140.7 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 133 | T | 30 | Very low | 31.9 | Very low | 114 Ų | 114 | 147.3 Ų | 147.3 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | cis | -155.5 | 169 | 9.7 | -27.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 134 | R | 34.7 | Very low | 32.3 | Very low | 230 Ų | 230 | 147.3 Ų | 147.3 | 87% | 0.868 | 80% | 0.797 | S | S | * | * | trans | 78.6 | 116.5 | 151.5 | -73.9 | 170.9 | -173.8 | -178.7 | 2.3 | 122.8 | ||||
| 135 | K | 33.5 | Very low | 32.8 | Very low | 195 Ų | 195 | 149.1 Ų | 149.1 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | trans | 8.7 | 144.5 | 132.4 | -57 | 179.8 | 178.9 | 177.4 | 0 | 118.2 | ||||
| 136 | T | 31.9 | Very low | 33.3 | Very low | 141 Ų | 141 | 148.4 Ų | 148.4 | 87% | 0.865 | 79% | 0.787 | S | S | * | * | -169.4 | 164.8 | 75.2 | -62.9 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 137 | R | 36.2 | Very low | 34.1 | Very low | 230 Ų | 230 | 150.9 Ų | 150.9 | 87% | 0.868 | 79% | 0.79 | S | S | * | * | trans | -93 | 147.1 | -174.4 | -66.9 | 155.8 | 49.1 | 179.3 | -5.5 | 114.8 | ||||
| 138 | T | 33.9 | Very low | 34.6 | Very low | 148 Ų | 148 | 155.3 Ų | 155.3 | 91% | 0.908 | 80% | 0.8 | S | S | * | * | trans | -175.3 | 169.1 | 146.3 | 32.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 139 | A | 33.1 | Very low | 35 | Very low | 87 Ų | 87 | 155.3 Ų | 155.3 | 72% | 0.719 | 81% | 0.81 | S | S | * | * | -156.4 | 138.7 | -53.7 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 140 | R | 34.7 | Very low | 35.6 | Very low | 255 Ų | 255 | 159.2 Ų | 159.2 | 96% | 0.962 | 82% | 0.817 | S | S | * | * | trans | 53.4 | 141.1 | 156 | -62.9 | -174.4 | 176.1 | -161.2 | -0.7 | 123.2 | ||||
| 141 | K | 34.8 | Very low | 35.7 | Very low | 199 Ų | 199 | 159.1 Ų | 159.1 | 87% | 0.865 | 82% | 0.822 | S | S | * | * | trans | -67.1 | 176.5 | 175.9 | -70.3 | 178.7 | 173.6 | -178.9 | 0 | 113.6 | ||||
| 142 | P | 45.9 | Very low | 36.1 | Very low | 123 Ų | 123 | 159.8 Ų | 159.8 | 80% | 0.799 | 83% | 0.825 | S | S | * | * | cis | -145.7 | -178.5 | 30 | 39.8 | -16.1 | 0 | 0 | 0 | 118.7 | ||||
| 143 | P | 44.1 | Very low | 36.2 | Very low | 117 Ų | 117 | 162 Ų | 162 | 76% | 0.76 | 83% | 0.829 | S | S | * | * | trans | -95.7 | 159 | -174.8 | 37.4 | -34.7 | 0 | 0 | 0 | 115.2 | ||||
| 144 | S | 34 | Very low | 36.6 | Very low | 124 Ų | 124 | 164.7 Ų | 164.7 | 87% | 0.867 | 84% | 0.835 | S | S | * | * | trans | -92.5 | 166.6 | 176.9 | -166.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 145 | T | 36.1 | Very low | 36.5 | Very low | 106 Ų | 106 | 159.2 Ų | 159.2 | 65% | 0.65 | 83% | 0.832 | S | S | * | * | trans | -125 | 155.1 | -150.9 | 58.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 146 | T | 36.7 | Very low | 36.7 | Very low | 124 Ų | 124 | 158.5 Ų | 158.5 | 76% | 0.761 | 83% | 0.829 | S | S | * | * | trans | 65.1 | 155.3 | 159.8 | 60.6 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 147 | K | 44.1 | Very low | 37 | Very low | 198 Ų | 198 | 160 Ų | 160 | 86% | 0.861 | 83% | 0.826 | S | S | * | * | cis | -146.7 | 162.4 | 36.7 | -67.1 | 170.2 | -179.6 | 175.8 | 0 | 113 | ||||
| 148 | R | 38.7 | Very low | 37.5 | Very low | 248 Ų | 248 | 152.8 Ų | 152.8 | 94% | 0.936 | 82% | 0.823 | S | S | * | * | trans | -84.8 | 153.3 | 166.3 | -66.1 | 173.3 | 173.3 | 166.9 | -4.1 | 110.5 | ||||
| 149 | S | 36.3 | Very low | 37.5 | Very low | 119 Ų | 119 | 151.3 Ų | 151.3 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | trans | -148.5 | 140.6 | 145.3 | 49.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 150 | K | 42.1 | Very low | 37.9 | Very low | 199 Ų | 199 | 153.2 Ų | 153.2 | 87% | 0.865 | 82% | 0.822 | S | S | * | * | trans | -94.5 | 147.1 | 165.8 | -74.6 | 178.2 | 171.4 | -176.7 | 0 | 107.8 | ||||
| 151 | V | 32.4 | Very low | 38.6 | Very low | 141 Ų | 141 | 148.8 Ų | 148.8 | 86% | 0.855 | 82% | 0.816 | S | S | * | * | trans | -138.2 | 146.5 | 153.1 | -175.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 152 | L | 37.2 | Very low | 38.7 | Very low | 151 Ų | 151 | 150.3 Ų | 150.3 | 79% | 0.791 | 82% | 0.816 | S | S | * | * | trans | -102.6 | 177.6 | -179.3 | -68 | 168.6 | 0 | 0 | 0 | 111 | ||||
| 153 | D | 30.4 | Very low | 38.8 | Very low | 154 Ų | 154 | 156 Ų | 156 | 82% | 0.824 | 82% | 0.821 | S | S | * | * | trans | 97.6 | 154.6 | 147.7 | -103.1 | -47.3 | 0 | 0 | 0 | 122 | ||||
| 154 | M | 39 | Very low | 39.2 | Very low | 169 Ų | 169 | 154.5 Ų | 154.5 | 83% | 0.833 | 81% | 0.814 | S | S | * | * | trans | -97.5 | 153.7 | -155 | -53.4 | -161.4 | 72.9 | 0 | 0 | 114.5 | ||||
| 155 | S | 32.1 | Very low | 40.3 | Very low | 115 Ų | 115 | 157 Ų | 157 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -172.1 | 141.2 | 140.6 | 31.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 156 | K | 37.6 | Very low | 41.1 | Very low | 180 Ų | 180 | 162.2 Ų | 162.2 | 78% | 0.783 | 83% | 0.825 | S | S | * | * | trans | 39.6 | 123.2 | 148.6 | -71.5 | -173.2 | 167.9 | -173.7 | 0 | 122.6 | ||||
| 157 | E | 37.6 | Very low | 42 | Very low | 173 Ų | 173 | 165.6 Ų | 165.6 | 81% | 0.808 | 83% | 0.829 | S | S | * | * | 51.7 | 135.4 | 127.8 | -66 | 168.5 | 112.7 | 0 | 0 | 121.8 | |||||
| 158 | G | 46.4 | Very low | 42.8 | Very low | 78 Ų | 78 | 161.5 Ų | 161.5 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | 87.4 | 39.8 | 145.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | T160 | G158-T160 PolarHBondContact O-N 3.44Š| ||
| 159 | S | 34.2 | Very low | 43.6 | Very low | 117 Ų | 117 | 157.9 Ų | 157.9 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | -85.7 | 103.3 | 169.8 | -155.9 | 0 | 0 | 0 | 0 | 112 | I161 | S159-I161 PolarHBondContact O-N 3.04Š| ||
| 160 | T | 41.3 | Very low | 44.4 | Very low | 127 Ų | 127 | 158.4 Ų | 158.4 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | trans | -56.5 | 131.3 | 163.5 | 46.1 | 0 | 0 | 0 | 0 | 109.6 | G158 R162 | G158-T160 PolarHBondContact O-N 3.44Å; T160-R162 PolarHBondContact O-N 2.9Å | ||
| 161 | I | 48.8 | Very low | 45.1 | Very low | 163 Ų | 163 | 153 Ų | 153 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | trans | -61.2 | 104.5 | -175.6 | -62.4 | 173 | 0 | 0 | 0 | 109.1 | S159 R163 | S159-I161 PolarHBondContact O-N 3.04Å; I161-R163 PolarHBondContact O-N 3.04Å | ||
| 162 | R | 38.5 | Very low | 46.1 | Very low | 231 Ų | 231 | 152 Ų | 152 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | trans | -54.6 | 107.6 | 169.3 | -87 | -173.7 | 166.9 | -158.3 | -1.9 | 108.4 | T160 S164 | T160-R162 PolarHBondContact O-N 2.9Å; R162-S164 PolarHBondContact O-N 3.46Å | ||
| 163 | R | 48.2 | Very low | 47 | Very low | 241 Ų | 241 | 148.5 Ų | 148.5 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | -56.7 | 101.4 | 170.9 | -70.2 | -179.4 | 176 | 179.2 | -1.2 | 108.7 | I161 N165 | I161-R163 PolarHBondContact O-N 3.04Å; R163-N165 PolarHBondContact O-N 3.26Å | ||
| 164 | S | 52.5 | Low | 47.9 | Very low | 86 Ų | 86 | 150.4 Ų | 150.4 | 60% | 0.601 | 79% | 0.788 | S | S | * | * | trans | -68.1 | 124.1 | 175.6 | 63.2 | 0 | 0 | 0 | 0 | 109.1 | R162 R166 | R162-S164 PolarHBondContact O-N 3.46Å; S164-R166 PolarHBondContact O-N 2.88Å | ||
| 165 | N | 56 | Low | 48.5 | Very low | 176 Ų | 176 | 149.3 Ų | 149.3 | 94% | 0.941 | 79% | 0.785 | S | S | * | * | trans | -70.6 | 64.8 | 174 | -103.4 | -47.8 | 0 | 0 | 0 | 111.4 | R163 | R163-N165 PolarHBondContact O-N 3.26Š| ||
| 166 | R | 53.1 | Low | 49.3 | Very low | 217 Ų | 217 | 150.7 Ų | 150.7 | 82% | 0.819 | 78% | 0.783 | S | S | * | * | trans | -93.8 | 108.7 | 169.3 | -70.7 | -171.5 | 176 | -167.4 | 0.3 | 108 | S164 | S164-R166 PolarHBondContact O-N 2.88Š| ||
| 167 | K | 56.6 | Low | 49.9 | Very low | 194 Ų | 194 | 148.8 Ų | 148.8 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | -55.2 | 130.2 | 166.5 | -63.3 | -177.2 | 178.9 | -175.4 | 0 | 107.7 | L169 | K167-L169 PolarHBondContact O-N 2.82Š| ||
| 168 | P | 59.4 | Low | 50.4 | Low | 112 Ų | 112 | 147.7 Ų | 147.7 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -62.3 | 134.9 | 176.2 | 25.9 | -33 | 0 | 0 | 0 | 109.3 | V170 | P168-V170 PolarHBondContact O-N 3.36Å; P168-V170 VanDerWaalsContact O-N 3.17Å | ||
| 169 | L | 56.3 | Low | 50.4 | Low | 172 Ų | 172 | 149.3 Ų | 149.3 | 90% | 0.901 | 78% | 0.779 | S | S | * | * | trans | -65.5 | 113.6 | 174.2 | -76.5 | 146.3 | 0 | 0 | 0 | 108.4 | K167 T171 | K167-L169 PolarHBondContact O-N 2.82Å; L169-T171 PolarHBondContact O-N 3.48Å | ||
| 170 | V | 53.2 | Low | 50.9 | Low | 130 Ų | 130 | 146.6 Ų | 146.6 | 79% | 0.788 | 76% | 0.76 | S | S | * | * | trans | -77.2 | 103.8 | 177.9 | -179.8 | 0 | 0 | 0 | 0 | 108.3 | P168 | P168-V170 PolarHBondContact O-N 3.36Å; P168-V170 VanDerWaalsContact O-N 3.17Å | ||
| 171 | T | 56 | Low | 51.2 | Low | 86 Ų | 86 | 148.9 Ų | 148.9 | 53% | 0.528 | 77% | 0.767 | S | S | . | * | trans | -80 | 142.1 | 167.3 | 52 | 0 | 0 | 0 | 0 | 109.6 | L169 A173 R174 | L169-T171 PolarHBondContact O-N 3.48Å; T171-A173 PolarHBondContact O-N 3.33Å; T171-R174 PolarHBondContact O-N 2.97Å | ||
| 172 | P | 53.3 | Low | 51.2 | Low | 121 Ų | 121 | 150.2 Ų | 150.2 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -62.5 | -16 | -172 | 21.9 | -33 | 0 | 0 | 0 | 114.6 | R174 N175 | P172-R174 PolarHBondContact O-N 3.34Å; P172-R174 VanDerWaalsContact O-N 3.12Å; P172-N175 PolarHBondContact O-N 3.11Å |
| 173 | A | 55.8 | Low | 51.6 | Low | 77 Ų | 77 | 145 Ų | 145 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -66.1 | -8.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | T171 | T171-A173 PolarHBondContact O-N 3.33Š|
| 174 | R | 50.9 | Low | 52.1 | Low | 193 Ų | 193 | 136 Ų | 136 | 73% | 0.728 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -86.8 | -12.4 | 178.6 | -67.7 | -168.3 | 75.9 | 109.6 | -0.5 | 114.9 | T171 P172 L176 | T171-R174 PolarHBondContact O-N 2.97Å; P172-R174 PolarHBondContact O-N 3.34Å; P172-R174 VanDerWaalsContact O-N 3.12Å; R174-L176 PolarHBondContact O-N 3.02Å |
| 175 | N | 49.8 | Very low | 51.9 | Low | 146 Ų | 146 | 138.5 Ų | 138.5 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | 7.3 | -171.4 | -145.6 | 56 | 0 | 0 | 0 | 114.9 | P172 | P172-N175 PolarHBondContact O-N 3.11Š|
| 176 | L | 50.3 | Low | 51.7 | Low | 144 Ų | 144 | 134.5 Ų | 134.5 | 75% | 0.754 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | -0.5 | 179.7 | -73.8 | 173.3 | 0 | 0 | 0 | 114 | R174 | R174-L176 PolarHBondContact O-N 3.02Š|
| 177 | L | 50.8 | Low | 51.7 | Low | 140 Ų | 140 | 129.3 Ų | 129.3 | 73% | 0.733 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -90.9 | -8.3 | -173.8 | -67.4 | 171.5 | 0 | 0 | 0 | 114.2 | ||
| 178 | D | 47.2 | Very low | 51.6 | Low | 151 Ų | 151 | 128.7 Ų | 128.7 | 81% | 0.807 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | 2.9 | -176.9 | -149.1 | 26.6 | 0 | 0 | 0 | 113.4 | ||
| 179 | S | 45.8 | Very low | 51.6 | Low | 111 Ų | 111 | 130.4 Ų | 130.4 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.2 | 18.8 | 179.5 | -49.4 | 0 | 0 | 0 | 0 | 113.1 | ||
| 180 | S | 45.3 | Very low | 51.6 | Low | 60 Ų | 60 | 127.7 Ų | 127.7 | 42% | 0.42 | 73% | 0.729 | S | S | . | * | trans | -114.4 | 50.6 | -179.3 | -148 | 0 | 0 | 0 | 0 | 112.9 | M182 M183 | S180-M182 PolarHBondContact O-N 2.98Å; S180-M182 VanDerWaalsContact O-N 3.08Å; S180-M183 PolarHBondContact O-N 3.32Å; S180-M183 WeakPolarHBondContact OG-CG 3.43Å | ||
| 181 | L | 48 | Very low | 51.9 | Low | 175 Ų | 175 | 126.8 Ų | 126.8 | 92% | 0.916 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | 7.1 | 170.5 | -68.7 | 174.5 | 0 | 0 | 0 | 113.9 | ||
| 182 | M | 48.8 | Very low | 52 | Low | 191 Ų | 191 | 134.2 Ų | 134.2 | 94% | 0.941 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.5 | -5 | 173.8 | -78.9 | -126.4 | 138.2 | 0 | 0 | 114.2 | S180 | S180-M182 PolarHBondContact O-N 2.98Å; S180-M182 VanDerWaalsContact O-N 3.08Å |
| 183 | M | 47.1 | Very low | 52.3 | Low | 122 Ų | 122 | 136 Ų | 136 | 60% | 0.601 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -92.3 | 114.1 | 169.5 | -77.4 | -70.4 | -76.1 | 0 | 0 | 109.2 | S180 T186 | S180-M183 PolarHBondContact O-N 3.32Å; S180-M183 WeakPolarHBondContact OG-CG 3.43Å; M183-T186 HydrophobicContact CE-CG2 3.77Å |
| 184 | G | 58.3 | Low | 52.5 | Low | 51 Ų | 51 | 136 Ų | 136 | 53% | 0.526 | 73% | 0.729 | S | S | . | * | trans | -57.8 | 169.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | T186 | G184-T186 VanDerWaalsContact C-N 3.3Å; G184-T186 PolarHBondContact O-N 2.93Å | ||
| 185 | P | 47.4 | Very low | 53 | Low | 139 Ų | 139 | 132 Ų | 132 | 90% | 0.903 | 73% | 0.728 | S | S | * | * | trans | -68 | 79.5 | -167.9 | 28.8 | -36.9 | 0 | 0 | 0 | 113.2 | ||||
| 186 | T | 51.8 | Low | 53.7 | Low | 93 Ų | 93 | 135.6 Ų | 135.6 | 57% | 0.571 | 73% | 0.73 | S | S | * | * | trans | -62.9 | 122.2 | 163.7 | 45.5 | 0 | 0 | 0 | 0 | 108.1 | M183 G184 L188 | M183-T186 HydrophobicContact CE-CG2 3.77Å; G184-T186 VanDerWaalsContact C-N 3.3Å; G184-T186 PolarHBondContact O-N 2.93Å; T186-L188 PolarHBondContact O-N 2.79Å | ||
| 187 | P | 53.7 | Low | 54.4 | Low | 107 Ų | 107 | 133.4 Ų | 133.4 | 70% | 0.695 | 72% | 0.719 | S | S | * | * | trans | -59.7 | 131.3 | -178.2 | 23.2 | -32.8 | 0 | 0 | 0 | 110.1 | I189 | P187-I189 PolarHBondContact O-N 3.13Š| ||
| 188 | L | 55 | Low | 54.6 | Low | 182 Ų | 182 | 132.2 Ų | 132.2 | 95% | 0.953 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -63.5 | 8.1 | -177.7 | -77.2 | 159.4 | 0 | 0 | 0 | 114.8 | T186 | T186-L188 PolarHBondContact O-N 2.79Š|
| 189 | I | 59.4 | Low | 55.2 | Low | 147 Ų | 147 | 134 Ų | 134 | 75% | 0.754 | 72% | 0.72 | S | S | * | * | trans | -122.6 | 77.7 | 177.9 | -54.8 | 171.6 | 0 | 0 | 0 | 106.8 | P187 | P187-I189 PolarHBondContact O-N 3.13Š| ||
| 190 | T | 56 | Low | 55.8 | Low | 116 Ų | 116 | 133.2 Ų | 133.2 | 71% | 0.712 | 71% | 0.711 | S | S | * | * | trans | -68.6 | 127.9 | 157.3 | 50.2 | 0 | 0 | 0 | 0 | 107.3 | R192 | T190-R192 PolarHBondContact O-N 3Å; T190-R192 VanDerWaalsContact O-N 3.07Å | ||
| 191 | P | 58.3 | Low | 56 | Low | 110 Ų | 110 | 135.6 Ų | 135.6 | 71% | 0.714 | 73% | 0.725 | S | S | * | * | trans | -61.5 | 118.7 | 176 | 24.6 | -32.2 | 0 | 0 | 0 | 108 | F193 | P191-F193 PolarHBondContact O-N 3.48Š| ||
| 192 | R | 59.6 | Low | 56.7 | Low | 243 Ų | 243 | 130.9 Ų | 130.9 | 92% | 0.917 | 71% | 0.711 | S | S | * | * | trans | -60.9 | 111.8 | 176.8 | -84.7 | -178 | 167.8 | 176 | -4.4 | 108.3 | T190 D194 | T190-R192 PolarHBondContact O-N 3Å; T190-R192 VanDerWaalsContact O-N 3.07Å; R192-D194 PolarHBondContact O-N 3.04Å; R192-D194 VanDerWaalsContact O-N 3.12Å | ||
| 193 | F | 58.9 | Low | 57.3 | Low | 159 Ų | 159 | 125.1 Ų | 125.1 | 70% | 0.697 | 69% | 0.686 | S | S | * | * | trans | -53.7 | 116.3 | 174.2 | -176 | -94.7 | 0 | 0 | 0 | 109.3 | P191 P195 | P191-F193 PolarHBondContact O-N 3.48Å; F193-P195 VanDerWaalsContact O-CD 3.27Å; F193-P195 WeakPolarHBondContact O-CD 3.34Å | ||
| 194 | D | 60.6 | Low | 58.4 | Low | 76 Ų | 76 | 123.8 Ų | 123.8 | 41% | 0.406 | 68% | 0.675 | S | S | . | * | trans | -78.7 | 112.2 | 175.7 | -179.7 | -0.9 | 0 | 0 | 0 | 108.7 | R192 R196 L197 | R192-D194 PolarHBondContact O-N 3.04Å; R192-D194 VanDerWaalsContact O-N 3.12Å; D194-R196 PolarHBondContact O-N 3.33Å; D194-R196 VanDerWaalsContact OD1-CB 3.29Å; D194-R196 WeakPolarHBondContact OD1-CB 3.42Å; D194-R196 PolarHBondContact OD1-N 3.02Å; D194-L197 HydrophobicContact CB-CD1 4.03Å; D194-L197 HydrophobicContact CB-CG 4.04Å; D194-L197 WeakPolarHBondContact O-CB 3.35Å; D194-L197 PolarHBondContact O-N 3.15Å | ||
| 195 | P | 59.9 | Low | 58.9 | Low | 108 Ų | 108 | 125.5 Ų | 125.5 | 70% | 0.701 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -2.7 | -178.6 | 32.1 | -37.8 | 0 | 0 | 0 | 113.5 | F193 | F193-P195 VanDerWaalsContact O-CD 3.27Å; F193-P195 WeakPolarHBondContact O-CD 3.34Å |
| 196 | R | 65.7 | Low | 60 | Low | 223 Ų | 223 | 119.3 Ų | 119.3 | 84% | 0.842 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -12.8 | 173 | -58.4 | 177.9 | 174.9 | -174.8 | -1.7 | 113.5 | D194 | D194-R196 PolarHBondContact O-N 3.33Å; D194-R196 VanDerWaalsContact OD1-CB 3.29Å; D194-R196 WeakPolarHBondContact OD1-CB 3.42Å; D194-R196 PolarHBondContact OD1-N 3.02Å |
| 197 | L | 64.1 | Low | 61 | Low | 98 Ų | 98 | 124.2 Ų | 124.2 | 51% | 0.513 | 64% | 0.643 | S | S | . | * | S | Bend | trans | -59.5 | 140.5 | 166.5 | -71.2 | 167.3 | 0 | 0 | 0 | 108.3 | D194 K199 | D194-L197 HydrophobicContact CB-CD1 4.03Å; D194-L197 HydrophobicContact CB-CG 4.04Å; D194-L197 WeakPolarHBondContact O-CB 3.35Å; D194-L197 PolarHBondContact O-N 3.15Å; L197-K199 PolarHBondContact O-N 3.06Å; L197-K199 VanDerWaalsContact O-N 3.08Å |
| 198 | P | 56.6 | Low | 62.2 | Low | 114 Ų | 114 | 120.5 Ų | 120.5 | 74% | 0.74 | 62% | 0.616 | S | S | * | * | trans | -56.3 | 123.8 | 174.4 | 24.8 | -33 | 0 | 0 | 0 | 107.6 | T200 | P198-T200 PolarHBondContact O-N 3.02Š| ||
| 199 | K | 59.9 | Low | 63.2 | Low | 188 Ų | 188 | 117 Ų | 117 | 82% | 0.817 | 59% | 0.593 | S | S | * | * | trans | -52.5 | 112.8 | 172.1 | -67.8 | -178.8 | -179.3 | -179.9 | 0 | 106.4 | L197 | L197-K199 PolarHBondContact O-N 3.06Å; L197-K199 VanDerWaalsContact O-N 3.08Å | ||
| 200 | T | 57.2 | Low | 64.1 | Low | 95 Ų | 95 | 111.9 Ų | 111.9 | 58% | 0.583 | 57% | 0.566 | S | S | * | * | trans | -55.7 | 128.8 | 174.6 | 42.6 | 0 | 0 | 0 | 0 | 106.7 | P198 A202 | P198-T200 PolarHBondContact O-N 3.02Å; T200-A202 WeakPolarHBondContact O-CA 3.44Å; T200-A202 PolarHBondContact O-N 3.33Å; T200-A202 VanDerWaalsContact O-N 3.1Å | ||
| 201 | P | 49.9 | Very low | 65.1 | Low | 110 Ų | 110 | 114 Ų | 114 | 71% | 0.714 | 56% | 0.561 | S | S | * | * | trans | -53.4 | 126.2 | -174.8 | 19.1 | -30.7 | 0 | 0 | 0 | 108.2 | V203 | P201-V203 PolarHBondContact O-N 3.22Š| ||
| 202 | A | 62.4 | Low | 65.9 | Low | 77 Ų | 77 | 109.7 Ų | 109.7 | 64% | 0.636 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -69.4 | -0.1 | -147.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | T200 P221 | T200-A202 WeakPolarHBondContact O-CA 3.44Å; T200-A202 PolarHBondContact O-N 3.33Å; T200-A202 VanDerWaalsContact O-N 3.1Å; A202-P221 VanDerWaalsContact O-CD 3.29Å; A202-P221 WeakPolarHBondContact O-CD 3.48Å; A202-P221 WeakPolarHBondContact O-CG 3.35Å |
| 203 | V | 61.5 | Low | 66.4 | Low | 69 Ų | 69 | 103.6 Ų | 103.6 | 42% | 0.418 | 51% | 0.513 | S | S | . | . | trans | -146.9 | 134.7 | 178.6 | -173.9 | 0 | 0 | 0 | 0 | 108.2 | P201 P221 Q223 | P201-V203 PolarHBondContact O-N 3.22Å; V203-P221 WeakPolarHBondContact CA-O 3.25Å; V203-P221 HydrophobicContact CG2-CG 4.37Å; V203-Q223 HydrophobicContact CG1-CB 3.19Å; V203-Q223 HydrophobicContact CG1-CG 4.22Å; V203-Q223 VanDerWaalsContact CG1-OE1 3.31Å | ||
| 204 | R | 69.8 | Low | 66.6 | Low | 94 Ų | 94 | 100.2 Ų | 100.2 | 36% | 0.355 | 51% | 0.509 | S | S | . | . | B | Isolated β-bridge | trans | -127.9 | 152.3 | 175.3 | 69.2 | -177.5 | -175.2 | 89.7 | -10.5 | 111.3 | E210 P221 I222 Q223 | R204-E210 IonicContact CZ-OE1 3.27Å; R204-E210 IonicContact CZ-OE2 3.93Å; R204-E210 IonicContact NH1-OE1 3.7Å; R204-E210 PolarHBondContact NH1-OE1 3.37Å; R204-E210 IonicContact NH1-OE2 3.15Å; R204-E210 PolarHBondContact NH1-OE2 3.43Å; R204-E210 IonicContact NH2-OE1 2.67Å; R204-E210 PolarHBondContact NH2-OE1 2.88Å; R204-P221 PolarHBondContact N-O 3.13Å; R204-I222 HydrophobicContact CG-CG1 4.32Å; R204-I222 VanDerWaalsContact NH2-CD1 3.34Å; R204-I222 CarbonylContact O-C 3.58Å; R204-I222 WeakPolarHBondContact O-CA 3.5Å; R204-Q223 PolarHBondContact O-N 3.06Å |
| 205 | V | 69.7 | Low | 66.5 | Low | 87 Ų | 87 | 104.8 Ų | 104.8 | 53% | 0.527 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -81 | 144 | 172 | -175 | 0 | 0 | 0 | 0 | 108.9 | ||
| 206 | P | 70.2 | Confident | 66.1 | Low | 9 Ų | 9 | 102.9 Ų | 102.9 | 6% | 0.058 | 52% | 0.519 | C | S | . | . | P | Polyproline II helix | trans | -46.7 | 140.3 | 165 | -32.9 | 38.7 | 0 | 0 | 0 | 112.7 | I222 Q223 V229 Q241 L243 | P206-I222 HydrophobicContact CB-CG2 4.35Å; P206-I222 HydrophobicContact CG-CG2 3.42Å; P206-I222 VanDerWaalsContact CG-CG2 3.42Å; P206-Q223 WeakPolarHBondContact CD-O 3.31Å; P206-V229 HydrophobicContact CB-CG1 4.24Å; P206-V229 HydrophobicContact CB-CG2 4.38Å; P206-V229 HydrophobicContact CG-CB 4.5Å; P206-V229 HydrophobicContact CG-CG1 3.88Å; P206-V229 HydrophobicContact CG-CG2 3.91Å; P206-Q241 HydrophobicContact CB-CB 4.27Å; P206-L243 HydrophobicContact CB-CD1 3.97Å |
| 207 | R | 73.1 | Confident | 65.5 | Low | 196 Ų | 196 | 99.2 Ų | 99.2 | 74% | 0.74 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -90.4 | 146 | 156.7 | -65 | -175.5 | 177.1 | -161.1 | -1.7 | 109.5 | E210 | R207-E210 HydrophobicContact CB-CB 4.12Å; R207-E210 PolarHBondContact N-OE2 3.36Å; R207-E210 WeakPolarHBondContact O-CB 3.31Å; R207-E210 PolarHBondContact O-N 3.34Å |
| 208 | H | 78.3 | Confident | 64.9 | Low | 29 Ų | 29 | 101.2 Ų | 101.2 | 13% | 0.134 | 53% | 0.532 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 139.9 | 171.8 | -178.1 | 89.7 | 0 | 0 | 0 | 110.6 | E210 L243 E246 L250 | H208-E210 PolarHBondContact O-N 2.97Å; H208-L243 HydrophobicContact CB-CB 4.3Å; H208-L243 HydrophobicContact CB-CD1 4.33Å; H208-L243 HydrophobicContact CB-CD2 4.45Å; H208-L243 PolarHBondContact ND1-N 2.93Å; H208-E246 WeakPolarHBondContact CB-OE2 3.33Å; H208-E246 IonicContact CD2-OE2 3.18Å; H208-E246 PolarHBondContact CD2-OE2 3.14Å; H208-E246 VanDerWaalsContact CD2-OE2 3.27Å; H208-E246 VanDerWaalsContact CE1-CB 3.42Å; H208-E246 WeakPolarHBondContact CE1-CB 3.25Å; H208-E246 PolarHBondContact CE1-O 3.28Å; H208-E246 IonicContact CG-OE2 2.89Å; H208-E246 WeakPolarHBondContact ND1-CB 3.41Å; H208-E246 IonicContact ND1-OE2 2.67Å; H208-L250 VanDerWaalsContact CE1-CD2 3.44Å; H208-L250 WeakPolarHBondContact CE1-CD2 3.26Å; H208-L250 VanDerWaalsContact NE2-CD2 3.27Å; H208-L250 WeakPolarHBondContact NE2-CD2 3.5Å |
| 209 | K | 75.6 | Confident | 64.9 | Low | 108 Ų | 108 | 97.9 Ų | 97.9 | 47% | 0.47 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 13.9 | -173.1 | -63.9 | 159.5 | -177.4 | 160 | 0 | 114.5 | Q241 S249 L250 | K209-Q241 PolarHBondContact N-O 2.89Å; K209-S249 PolarHBondContact NZ-O 3.29Å; K209-L250 HydrophobicContact CD-CD2 4.45Å; K209-L250 VanDerWaalsContact CE-CD2 3.41Å; K209-L250 HydrophobicContact CG-CD2 4.13Å |
| 210 | E | 78.7 | Confident | 64.7 | Low | 41 Ų | 41 | 90.8 Ų | 90.8 | 19% | 0.192 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 131.1 | 178.6 | -163.9 | -175.4 | 152.8 | 0 | 0 | 111.9 | R204 R207 H208 V212 I240 Q241 | R204-E210 IonicContact CZ-OE1 3.27Å; R204-E210 IonicContact CZ-OE2 3.93Å; R204-E210 IonicContact NH1-OE1 3.7Å; R204-E210 PolarHBondContact NH1-OE1 3.37Å; R204-E210 IonicContact NH1-OE2 3.15Å; R204-E210 PolarHBondContact NH1-OE2 3.43Å; R204-E210 IonicContact NH2-OE1 2.67Å; R204-E210 PolarHBondContact NH2-OE1 2.88Å; R207-E210 HydrophobicContact CB-CB 4.12Å; R207-E210 PolarHBondContact N-OE2 3.36Å; R207-E210 WeakPolarHBondContact O-CB 3.31Å; R207-E210 PolarHBondContact O-N 3.34Å; H208-E210 PolarHBondContact O-N 2.97Å; E210-V212 HydrophobicContact CB-CG2 4.49Å; E210-V212 HydrophobicContact CG-CG2 4.09Å; E210-I240 WeakPolarHBondContact O-CA 3.25Å; E210-Q241 PolarHBondContact O-N 3.45Å |
| 211 | R | 77.5 | Confident | 64.7 | Low | 161 Ų | 161 | 90.1 Ų | 90.1 | 61% | 0.608 | 49% | 0.491 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 119.6 | 169.1 | -72.8 | 170.6 | 74.2 | 171.6 | 2.9 | 109.4 | E238 I240 | R211-E238 IonicContact CZ-OE2 3.07Å; R211-E238 IonicContact NE-OE2 3.13Å; R211-E238 PolarHBondContact NE-OE2 3.45Å; R211-E238 VanDerWaalsContact NH2-CD 3.26Å; R211-E238 IonicContact NH2-OE1 2.83Å; R211-E238 PolarHBondContact NH2-OE1 3.45Å; R211-E238 VanDerWaalsContact NH2-OE1 3.07Å; R211-E238 IonicContact NH2-OE2 3.87Å; R211-E238 PolarHBondContact NH2-OE2 2.88Å; R211-I240 HydrophobicContact CG-CD1 4.49Å; R211-I240 HydrophobicContact CG-CG1 3.99Å |
| 212 | V | 74.3 | Confident | 65.6 | Low | 19 Ų | 19 | 87.3 Ų | 87.3 | 12% | 0.115 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 136.2 | -177.8 | 170.4 | 0 | 0 | 0 | 0 | 109.2 | E210 I222 S239 Q241 | E210-V212 HydrophobicContact CB-CG2 4.49Å; E210-V212 HydrophobicContact CG-CG2 4.09Å; V212-I222 HydrophobicContact CB-CD1 4.32Å; V212-I222 HydrophobicContact CG1-CD1 3.61Å; V212-I222 HydrophobicContact CG2-CD1 3.66Å; V212-S239 PolarHBondContact N-O 3.4Å; V212-S239 PolarHBondContact O-N 3.4Å; V212-S239 VanDerWaalsContact O-O 3.09Å; V212-S239 PolarHBondContact O-OG 3.14Å; V212-Q241 HydrophobicContact CB-CG 4.09Å; V212-Q241 HydrophobicContact CG2-CG 3.74Å |
| 213 | F | 71 | Confident | 65.8 | Low | 114 Ų | 114 | 89.5 Ų | 89.5 | 50% | 0.5 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 129.7 | 173.3 | -68.2 | -92 | 0 | 0 | 0 | 109.8 | M215 G237 E238 | F213-M215 PolarHBondContact O-N 3Å; F213-G237 WeakPolarHBondContact CA-O 3.48Å; F213-E238 HydrophobicContact CD1-CG 3.69Å; F213-E238 HydrophobicContact CE1-CG 3.28Å; F213-E238 HydrophobicContact CE2-CG 4.41Å; F213-E238 HydrophobicContact CG-CG 4.42Å; F213-E238 HydrophobicContact CZ-CG 3.68Å |
| 214 | S | 63.5 | Low | 65.8 | Low | 89 Ų | 89 | 89.3 Ų | 89.3 | 62% | 0.622 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -65.5 | -21.6 | 178.4 | 61.7 | 0 | 0 | 0 | 0 | 112.8 | G237 | S214-G237 PolarHBondContact N-O 2.92Å; S214-G237 PolarHBondContact OG-O 3.03Å |
| 215 | M | 57.6 | Low | 65.7 | Low | 171 Ų | 171 | 86.5 Ų | 86.5 | 84% | 0.842 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -130.7 | 92.5 | 174.5 | -61.8 | -174.1 | 72.7 | 0 | 0 | 110.1 | F213 | F213-M215 PolarHBondContact O-N 3Š|
| 216 | S | 52.6 | Low | 65.9 | Low | 68 Ų | 68 | 89 Ų | 89 | 48% | 0.476 | 49% | 0.494 | S | S | . | . | trans | -113.6 | 114.6 | 170.8 | -174.7 | 0 | 0 | 0 | 0 | 110.9 | N218 G219 | S216-N218 PolarHBondContact O-N 3.12Å; S216-G219 PolarHBondContact O-N 2.91Å; S216-G219 PolarHBondContact OG-N 3.48Å; S216-G219 VanDerWaalsContact OG-N 3.1Å | ||
| 217 | V | 51.2 | Low | 66.3 | Low | 146 Ų | 146 | 90.3 Ų | 90.3 | 89% | 0.885 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -22.9 | 177.3 | -176 | 0 | 0 | 0 | 0 | 111.9 | ||
| 218 | N | 52.1 | Low | 66.7 | Low | 140 Ų | 140 | 86.8 Ų | 86.8 | 75% | 0.749 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.6 | 11 | -175.9 | -64.8 | 4.9 | 0 | 0 | 0 | 113.1 | S216 | S216-N218 PolarHBondContact O-N 3.12Š|
| 219 | G | 56 | Low | 67 | Low | 45 Ų | 45 | 87 Ų | 87 | 46% | 0.464 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -79.3 | 131.3 | -177 | 0 | 0 | 0 | 0 | 0 | 112.5 | S216 | S216-G219 PolarHBondContact O-N 2.91Å; S216-G219 PolarHBondContact OG-N 3.48Å; S216-G219 VanDerWaalsContact OG-N 3.1Å |
| 220 | S | 56 | Low | 67.5 | Low | 39 Ų | 39 | 84 Ų | 84 | 27% | 0.273 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 134.9 | 164.3 | -56.4 | 0 | 0 | 0 | 0 | 109.4 | I222 | S220-I222 PolarHBondContact O-N 3.38Š|
| 221 | P | 58.7 | Low | 67.8 | Low | 81 Ų | 81 | 86.4 Ų | 86.4 | 53% | 0.526 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 129.3 | 178.7 | 25.2 | -33.9 | 0 | 0 | 0 | 109.8 | A202 V203 R204 | A202-P221 VanDerWaalsContact O-CD 3.29Å; A202-P221 WeakPolarHBondContact O-CD 3.48Å; A202-P221 WeakPolarHBondContact O-CG 3.35Å; V203-P221 WeakPolarHBondContact CA-O 3.25Å; V203-P221 HydrophobicContact CG2-CG 4.37Å; R204-P221 PolarHBondContact N-O 3.13Å |
| 222 | I | 67.1 | Low | 68.2 | Low | 50 Ų | 50 | 78.9 Ų | 78.9 | 26% | 0.256 | 47% | 0.473 | S | S | . | . | B | Isolated β-bridge | trans | -94.1 | 113 | -179.7 | -56.9 | 179.8 | 0 | 0 | 0 | 107 | R204 P206 V212 S220 | R204-I222 HydrophobicContact CG-CG1 4.32Å; R204-I222 VanDerWaalsContact NH2-CD1 3.34Å; R204-I222 CarbonylContact O-C 3.58Å; R204-I222 WeakPolarHBondContact O-CA 3.5Å; P206-I222 HydrophobicContact CB-CG2 4.35Å; P206-I222 HydrophobicContact CG-CG2 3.42Å; P206-I222 VanDerWaalsContact CG-CG2 3.42Å; V212-I222 HydrophobicContact CB-CD1 4.32Å; V212-I222 HydrophobicContact CG1-CD1 3.61Å; V212-I222 HydrophobicContact CG2-CD1 3.66Å; S220-I222 PolarHBondContact O-N 3.38Å |
| 223 | Q | 66.7 | Low | 68.7 | Low | 123 Ų | 123 | 81.9 Ų | 81.9 | 58% | 0.575 | 49% | 0.493 | S | S | * | . | trans | -91.5 | 131.1 | 179.3 | 175 | 172.5 | 19.3 | 0 | 0 | 109.4 | V203 R204 P206 G225 | V203-Q223 HydrophobicContact CG1-CB 3.19Å; V203-Q223 HydrophobicContact CG1-CG 4.22Å; V203-Q223 VanDerWaalsContact CG1-OE1 3.31Å; R204-Q223 PolarHBondContact O-N 3.06Å; P206-Q223 WeakPolarHBondContact CD-O 3.31Å; Q223-G225 PolarHBondContact O-N 3.1Å | ||
| 224 | A | 63.2 | Low | 69 | Low | 66 Ų | 66 | 78.2 Ų | 78.2 | 55% | 0.545 | 48% | 0.48 | S | S | . | . | trans | -57.4 | 123.7 | 166 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 225 | G | 66.4 | Low | 69.6 | Low | 35 Ų | 35 | 75.9 Ų | 75.9 | 36% | 0.361 | 47% | 0.469 | S | S | . | . | trans | -73.4 | -155.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q223 D227 | Q223-G225 PolarHBondContact O-N 3.1Å; G225-D227 PolarHBondContact O-N 3.43Å | ||
| 226 | S | 74.6 | Confident | 70.4 | Confident | 140 Ų | 140 | 75.3 Ų | 75.3 | 98% | 0.979 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -72.4 | -9.9 | 170.3 | 52.2 | 0 | 0 | 0 | 0 | 113.8 | ||
| 227 | D | 78.1 | Confident | 71.4 | Confident | 35 Ų | 35 | 74 Ų | 74 | 19% | 0.187 | 47% | 0.467 | C | S | . | . | S | Bend | trans | -98.5 | 153.9 | 179.7 | -170.4 | 28.4 | 0 | 0 | 0 | 112 | G225 V229 L243 A244 S245 | G225-D227 PolarHBondContact O-N 3.43Å; D227-V229 PolarHBondContact O-N 2.88Å; D227-L243 WeakPolarHBondContact OD2-CB 3.31Å; D227-L243 VanDerWaalsContact OD2-CG 3.29Å; D227-L243 WeakPolarHBondContact OD2-CG 3.28Å; D227-A244 PolarHBondContact OD2-N 2.97Å; D227-S245 PolarHBondContact OD1-N 3.1Å; D227-S245 PolarHBondContact OD1-OG 2.93Å; D227-S245 WeakPolarHBondContact OD2-CB 3.5Å; D227-S245 PolarHBondContact OD2-N 3.45Å; D227-S245 PolarHBondContact OD2-OG 3.5Å |
| 228 | I | 82.2 | Confident | 72.6 | Confident | 123 Ų | 123 | 68.5 Ų | 68.5 | 63% | 0.631 | 43% | 0.431 | S | S | * | . | trans | -78.5 | 122.2 | 179.3 | -60.2 | 172.5 | 0 | 0 | 0 | 109.1 | A244 | I228-A244 HydrophobicContact CB-CB 3.79Å; I228-A244 HydrophobicContact CG2-CB 4.43Å; I228-A244 PolarHBondContact O-N 3.35Å | ||
| 229 | V | 84.3 | Confident | 74.1 | Confident | 34 Ų | 34 | 62.4 Ų | 62.4 | 21% | 0.206 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 122 | -176.9 | -178.5 | 0 | 0 | 0 | 0 | 110 | P206 D227 Q241 L243 | P206-V229 HydrophobicContact CB-CG1 4.24Å; P206-V229 HydrophobicContact CB-CG2 4.38Å; P206-V229 HydrophobicContact CG-CB 4.5Å; P206-V229 HydrophobicContact CG-CG1 3.88Å; P206-V229 HydrophobicContact CG-CG2 3.91Å; D227-V229 PolarHBondContact O-N 2.88Å; V229-Q241 HydrophobicContact CG1-CB 4.4Å; V229-L243 HydrophobicContact CG2-CD1 4.36Å |
| 230 | I | 86.1 | Confident | 75.5 | Confident | 45 Ų | 45 | 61.6 Ų | 61.6 | 23% | 0.231 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 117.5 | 177.4 | -54.5 | 174.4 | 0 | 0 | 0 | 108.3 | V232 L242 M247 L266 | I230-V232 HydrophobicContact CG2-CG2 4.08Å; I230-L242 HydrophobicContact CB-CB 4.36Å; I230-L242 PolarHBondContact N-O 2.99Å; I230-L242 PolarHBondContact O-N 3.22Å; I230-M247 HydrophobicContact CD1-SD 4.33Å; I230-L266 HydrophobicContact CG2-CD2 4.13Å |
| 231 | N | 85.7 | Confident | 76.9 | Confident | 90 Ų | 90 | 60.1 Ų | 60.1 | 48% | 0.481 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 111.1 | 174.1 | -64.4 | -53.3 | 0 | 0 | 0 | 109.5 | Q241 | N231-Q241 PolarHBondContact OD1-NE2 3.47Å |
| 232 | V | 85.2 | Confident | 78.2 | Confident | 4 Ų | 4 | 56.6 Ų | 56.6 | 2% | 0.024 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 120.4 | 177.7 | -177.3 | 0 | 0 | 0 | 0 | 109.6 | I230 S239 I240 L242 A259 I263 | I230-V232 HydrophobicContact CG2-CG2 4.08Å; V232-S239 CarbonylContact O-C 3.46Å; V232-S239 WeakPolarHBondContact O-CA 3.32Å; V232-S239 WeakPolarHBondContact O-CB 3.46Å; V232-I240 PolarHBondContact N-O 3.1Å; V232-I240 PolarHBondContact O-N 3.28Å; V232-L242 HydrophobicContact CG2-CD1 3.66Å; V232-L242 HydrophobicContact CG2-CG 4.27Å; V232-A259 HydrophobicContact CG1-CB 3.84Å; V232-I263 HydrophobicContact CG1-CD1 4.02Å; V232-I263 HydrophobicContact CG1-CG1 3.96Å; V232-I263 HydrophobicContact CG2-CD1 4.07Å; V232-I263 HydrophobicContact CG2-CG1 3.9Å |
| 233 | P | 84 | Confident | 79.1 | Confident | 82 Ų | 82 | 55.2 Ų | 55.2 | 53% | 0.532 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 132.9 | 177.3 | 29.2 | -33.6 | 0 | 0 | 0 | 110.8 | ||
| 234 | V | 78.8 | Confident | 79.9 | Confident | 37 Ų | 37 | 51.1 Ų | 51.1 | 22% | 0.224 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 8.3 | 179.3 | -64.7 | 0 | 0 | 0 | 0 | 113.5 | E238 I240 A259 | V234-E238 HydrophobicContact CG2-CB 3.74Å; V234-E238 PolarHBondContact N-O 3.41Å; V234-I240 HydrophobicContact CG1-CB 4.44Å; V234-I240 HydrophobicContact CG1-CD1 3.75Å; V234-I240 HydrophobicContact CG1-CG1 3.82Å; V234-I240 HydrophobicContact CG2-CG1 4.21Å; V234-A259 HydrophobicContact CG1-CB 4.18Å |
| 235 | G | 75.6 | Confident | 80.8 | Confident | 39 Ų | 39 | 52.4 Ų | 52.4 | 40% | 0.402 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 101 | 171.9 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | G237 E238 | G235-G237 PolarHBondContact O-N 3.06Å; G235-E238 WeakPolarHBondContact O-CB 3.4Å; G235-E238 PolarHBondContact O-N 3.44Å |
| 236 | N | 74.3 | Confident | 81.5 | Confident | 159 Ų | 159 | 55.1 Ų | 55.1 | 85% | 0.85 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 24 | 175.4 | -60.1 | -15.5 | 0 | 0 | 0 | 116.8 | E238 | N236-E238 VanDerWaalsContact C-N 3.27Š|
| 237 | G | 72.8 | Confident | 81.7 | Confident | 41 Ų | 41 | 52.4 Ų | 52.4 | 42% | 0.423 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 6.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | F213 S214 G235 | F213-G237 WeakPolarHBondContact CA-O 3.48Å; S214-G237 PolarHBondContact N-O 2.92Å; S214-G237 PolarHBondContact OG-O 3.03Å; G235-G237 PolarHBondContact O-N 3.06Å |
| 238 | E | 77.6 | Confident | 81.8 | Confident | 30 Ų | 30 | 59 Ų | 59 | 14% | 0.14 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 146.7 | 176.1 | -64.7 | -174.2 | -143.7 | 0 | 0 | 112.6 | R211 F213 V234 G235 N236 | R211-E238 IonicContact CZ-OE2 3.07Å; R211-E238 IonicContact NE-OE2 3.13Å; R211-E238 PolarHBondContact NE-OE2 3.45Å; R211-E238 VanDerWaalsContact NH2-CD 3.26Å; R211-E238 IonicContact NH2-OE1 2.83Å; R211-E238 PolarHBondContact NH2-OE1 3.45Å; R211-E238 VanDerWaalsContact NH2-OE1 3.07Å; R211-E238 IonicContact NH2-OE2 3.87Å; R211-E238 PolarHBondContact NH2-OE2 2.88Å; F213-E238 HydrophobicContact CD1-CG 3.69Å; F213-E238 HydrophobicContact CE1-CG 3.28Å; F213-E238 HydrophobicContact CE2-CG 4.41Å; F213-E238 HydrophobicContact CG-CG 4.42Å; F213-E238 HydrophobicContact CZ-CG 3.68Å; V234-E238 HydrophobicContact CG2-CB 3.74Å; V234-E238 PolarHBondContact N-O 3.41Å; G235-E238 WeakPolarHBondContact O-CB 3.4Å; G235-E238 PolarHBondContact O-N 3.44Å; N236-E238 VanDerWaalsContact C-N 3.27Å |
| 239 | S | 83.8 | Confident | 81.5 | Confident | 13 Ų | 13 | 56.4 Ų | 56.4 | 9% | 0.091 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 149.4 | 167.7 | 53.6 | 0 | 0 | 0 | 0 | 110.7 | V212 V232 | V212-S239 PolarHBondContact N-O 3.4Å; V212-S239 PolarHBondContact O-N 3.4Å; V212-S239 VanDerWaalsContact O-O 3.09Å; V212-S239 PolarHBondContact O-OG 3.14Å; V232-S239 CarbonylContact O-C 3.46Å; V232-S239 WeakPolarHBondContact O-CA 3.32Å; V232-S239 WeakPolarHBondContact O-CB 3.46Å |
| 240 | I | 84.3 | Confident | 80.9 | Confident | 27 Ų | 27 | 56.2 Ų | 56.2 | 14% | 0.138 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 134.8 | 169.9 | -65.5 | 179.5 | 0 | 0 | 0 | 108.5 | E210 R211 V232 V234 L242 L255 | E210-I240 WeakPolarHBondContact O-CA 3.25Å; R211-I240 HydrophobicContact CG-CD1 4.49Å; R211-I240 HydrophobicContact CG-CG1 3.99Å; V232-I240 PolarHBondContact N-O 3.1Å; V232-I240 PolarHBondContact O-N 3.28Å; V234-I240 HydrophobicContact CG1-CB 4.44Å; V234-I240 HydrophobicContact CG1-CD1 3.75Å; V234-I240 HydrophobicContact CG1-CG1 3.82Å; V234-I240 HydrophobicContact CG2-CG1 4.21Å; I240-L242 HydrophobicContact CG2-CD2 3.82Å; I240-L255 HydrophobicContact CD1-CD2 3.7Å |
| 241 | Q | 85.6 | Confident | 80.4 | Confident | 8 Ų | 8 | 58.7 Ų | 58.7 | 4% | 0.037 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 116.5 | 175.6 | -51.1 | -155.4 | -67.2 | 0 | 0 | 110.1 | P206 K209 E210 V212 V229 N231 | P206-Q241 HydrophobicContact CB-CB 4.27Å; K209-Q241 PolarHBondContact N-O 2.89Å; E210-Q241 PolarHBondContact O-N 3.45Å; V212-Q241 HydrophobicContact CB-CG 4.09Å; V212-Q241 HydrophobicContact CG2-CG 3.74Å; V229-Q241 HydrophobicContact CG1-CB 4.4Å; N231-Q241 PolarHBondContact OD1-NE2 3.47Å |
| 242 | L | 85.5 | Confident | 79.8 | Confident | 8 Ų | 8 | 57.5 Ų | 57.5 | 4% | 0.042 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 126.1 | 174.5 | -53.6 | -179.5 | 0 | 0 | 0 | 108.7 | I230 V232 I240 L250 I263 | I230-L242 HydrophobicContact CB-CB 4.36Å; I230-L242 PolarHBondContact N-O 2.99Å; I230-L242 PolarHBondContact O-N 3.22Å; V232-L242 HydrophobicContact CG2-CD1 3.66Å; V232-L242 HydrophobicContact CG2-CG 4.27Å; I240-L242 HydrophobicContact CG2-CD2 3.82Å; L242-L250 HydrophobicContact CB-CD1 4.48Å; L242-L250 HydrophobicContact CD1-CD1 4.23Å; L242-L250 HydrophobicContact CD2-CD1 4.03Å; L242-L250 HydrophobicContact CD2-CD2 3.96Å; L242-L250 HydrophobicContact CG-CD1 4.48Å; L242-I263 HydrophobicContact CD1-CD1 4.46Å |
| 243 | L | 85.8 | Confident | 79.3 | Confident | 21 Ų | 21 | 62.5 Ų | 62.5 | 11% | 0.11 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 131.4 | 172.6 | -93.8 | 66 | 0 | 0 | 0 | 109.3 | P206 H208 D227 V229 S245 E246 M247 | P206-L243 HydrophobicContact CB-CD1 3.97Å; H208-L243 HydrophobicContact CB-CB 4.3Å; H208-L243 HydrophobicContact CB-CD1 4.33Å; H208-L243 HydrophobicContact CB-CD2 4.45Å; H208-L243 PolarHBondContact ND1-N 2.93Å; D227-L243 WeakPolarHBondContact OD2-CB 3.31Å; D227-L243 VanDerWaalsContact OD2-CG 3.29Å; D227-L243 WeakPolarHBondContact OD2-CG 3.28Å; V229-L243 HydrophobicContact CG2-CD1 4.36Å; L243-S245 VanDerWaalsContact C-N 3.29Å; L243-S245 PolarHBondContact O-N 3.22Å; L243-E246 PolarHBondContact O-N 3.05Å; L243-M247 WeakPolarHBondContact O-CG 3.37Å; L243-M247 PolarHBondContact O-N 2.91Å |
| 244 | A | 83.3 | Confident | 78.9 | Confident | 37 Ų | 37 | 65.7 Ų | 65.7 | 31% | 0.306 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -60 | -40 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D227 I228 E246 M247 | D227-A244 PolarHBondContact OD2-N 2.97Å; I228-A244 HydrophobicContact CB-CB 3.79Å; I228-A244 HydrophobicContact CG2-CB 4.43Å; I228-A244 PolarHBondContact O-N 3.35Å; A244-E246 PolarHBondContact O-N 3.44Å; A244-E246 VanDerWaalsContact O-N 3.12Å; A244-M247 PolarHBondContact O-N 3Å |
| 245 | S | 82.9 | Confident | 78.9 | Confident | 93 Ų | 93 | 65.1 Ų | 65.1 | 65% | 0.65 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -64.6 | -15 | -179.4 | -63.6 | 0 | 0 | 0 | 0 | 114.7 | D227 L243 | D227-S245 PolarHBondContact OD1-N 3.1Å; D227-S245 PolarHBondContact OD1-OG 2.93Å; D227-S245 WeakPolarHBondContact OD2-CB 3.5Å; D227-S245 PolarHBondContact OD2-N 3.45Å; D227-S245 PolarHBondContact OD2-OG 3.5Å; L243-S245 VanDerWaalsContact C-N 3.29Å; L243-S245 PolarHBondContact O-N 3.22Å |
| 246 | E | 81.1 | Confident | 79.3 | Confident | 91 Ų | 91 | 67.5 Ų | 67.5 | 43% | 0.425 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -118.5 | 11 | -177 | -71 | -178.9 | -154.1 | 0 | 0 | 112.8 | H208 L243 A244 D248 S249 | H208-E246 WeakPolarHBondContact CB-OE2 3.33Å; H208-E246 IonicContact CD2-OE2 3.18Å; H208-E246 PolarHBondContact CD2-OE2 3.14Å; H208-E246 VanDerWaalsContact CD2-OE2 3.27Å; H208-E246 VanDerWaalsContact CE1-CB 3.42Å; H208-E246 WeakPolarHBondContact CE1-CB 3.25Å; H208-E246 PolarHBondContact CE1-O 3.28Å; H208-E246 IonicContact CG-OE2 2.89Å; H208-E246 WeakPolarHBondContact ND1-CB 3.41Å; H208-E246 IonicContact ND1-OE2 2.67Å; L243-E246 PolarHBondContact O-N 3.05Å; A244-E246 PolarHBondContact O-N 3.44Å; A244-E246 VanDerWaalsContact O-N 3.12Å; E246-D248 VanDerWaalsContact C-N 3.3Å; E246-D248 PolarHBondContact O-N 3.13Å; E246-S249 PolarHBondContact O-N 3.22Å; E246-S249 VanDerWaalsContact O-N 3.12Å; E246-S249 PolarHBondContact O-OG 3.08Å |
| 247 | M | 79.6 | Confident | 79.8 | Confident | 83 Ų | 83 | 65 Ų | 65 | 41% | 0.409 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -62.1 | -30.5 | -174.8 | -76.9 | -170.6 | 67.6 | 0 | 0 | 114.5 | I230 L243 A244 S249 L250 | I230-M247 HydrophobicContact CD1-SD 4.33Å; L243-M247 WeakPolarHBondContact O-CG 3.37Å; L243-M247 PolarHBondContact O-N 2.91Å; A244-M247 PolarHBondContact O-N 3Å; M247-S249 PolarHBondContact O-N 3.29Å; M247-S249 VanDerWaalsContact O-N 3.16Å; M247-L250 HydrophobicContact CB-CD1 4.22Å; M247-L250 HydrophobicContact CG-CD1 3.94Å; M247-L250 VanDerWaalsContact O-CB 3.27Å; M247-L250 WeakPolarHBondContact O-CB 3.49Å; M247-L250 PolarHBondContact O-N 3.48Å; M247-L250 VanDerWaalsContact O-N 3.11Å |
| 248 | D | 79.6 | Confident | 80.4 | Confident | 174 Ų | 174 | 67 Ų | 67 | 93% | 0.93 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -67.1 | -14.8 | 178.7 | -58.6 | -33.7 | 0 | 0 | 0 | 113 | E246 | E246-D248 VanDerWaalsContact C-N 3.3Å; E246-D248 PolarHBondContact O-N 3.13Å |
| 249 | S | 75.8 | Confident | 80.7 | Confident | 69 Ų | 69 | 65.5 Ų | 65.5 | 48% | 0.483 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -97.8 | 10.8 | 176.4 | 80.5 | 0 | 0 | 0 | 0 | 113.9 | K209 E246 M247 | K209-S249 PolarHBondContact NZ-O 3.29Å; E246-S249 PolarHBondContact O-N 3.22Å; E246-S249 VanDerWaalsContact O-N 3.12Å; E246-S249 PolarHBondContact O-OG 3.08Å; M247-S249 PolarHBondContact O-N 3.29Å; M247-S249 VanDerWaalsContact O-N 3.16Å |
| 250 | L | 72.9 | Confident | 80.8 | Confident | 30 Ų | 30 | 66.3 Ų | 66.3 | 16% | 0.157 | 37% | 0.373 | C | S | . | . | trans | -90.9 | 104.9 | -178.2 | -70.4 | 177.5 | 0 | 0 | 0 | 112.5 | H208 K209 L242 M247 L252 | H208-L250 VanDerWaalsContact CE1-CD2 3.44Å; H208-L250 WeakPolarHBondContact CE1-CD2 3.26Å; H208-L250 VanDerWaalsContact NE2-CD2 3.27Å; H208-L250 WeakPolarHBondContact NE2-CD2 3.5Å; K209-L250 HydrophobicContact CD-CD2 4.45Å; K209-L250 VanDerWaalsContact CE-CD2 3.41Å; K209-L250 HydrophobicContact CG-CD2 4.13Å; L242-L250 HydrophobicContact CB-CD1 4.48Å; L242-L250 HydrophobicContact CD1-CD1 4.23Å; L242-L250 HydrophobicContact CD2-CD1 4.03Å; L242-L250 HydrophobicContact CD2-CD2 3.96Å; L242-L250 HydrophobicContact CG-CD1 4.48Å; M247-L250 HydrophobicContact CB-CD1 4.22Å; M247-L250 HydrophobicContact CG-CD1 3.94Å; M247-L250 VanDerWaalsContact O-CB 3.27Å; M247-L250 WeakPolarHBondContact O-CB 3.49Å; M247-L250 PolarHBondContact O-N 3.48Å; M247-L250 VanDerWaalsContact O-N 3.11Å; L250-L252 HydrophobicContact CB-CD2 3.96Å; L250-L252 HydrophobicContact CB-CG 4.36Å; L250-L252 HydrophobicContact CD1-CD2 4.22Å; L250-L252 PolarHBondContact O-N 3.22Å; L250-L252 VanDerWaalsContact O-N 3.13Å | ||
| 251 | D | 75.4 | Confident | 80.9 | Confident | 96 Ų | 96 | 72.2 Ų | 72.2 | 51% | 0.513 | 39% | 0.393 | S | S | . | . | trans | -73.6 | 99.7 | 155.3 | -171.5 | -5.8 | 0 | 0 | 0 | 109.6 | T253 | D251-T253 PolarHBondContact O-N 3.46Å; D251-T253 VanDerWaalsContact OD1-CB 3.29Å; D251-T253 WeakPolarHBondContact OD1-CB 3.45Å; D251-T253 VanDerWaalsContact OD1-CG2 3.3Å; D251-T253 WeakPolarHBondContact OD1-CG2 3.34Å; D251-T253 PolarHBondContact OD1-N 2.96Å; D251-T253 PolarHBondContact OD1-OG1 3.48Å; D251-T253 PolarHBondContact OD2-OG1 3.19Å | ||
| 252 | L | 73 | Confident | 81 | Confident | 65 Ų | 65 | 73.9 Ų | 73.9 | 34% | 0.34 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -72.8 | -11.7 | 179.7 | -60.7 | 176 | 0 | 0 | 0 | 112.8 | L250 L254 L255 L260 | L250-L252 HydrophobicContact CB-CD2 3.96Å; L250-L252 HydrophobicContact CB-CG 4.36Å; L250-L252 HydrophobicContact CD1-CD2 4.22Å; L250-L252 PolarHBondContact O-N 3.22Å; L250-L252 VanDerWaalsContact O-N 3.13Å; L252-L254 PolarHBondContact O-N 3.33Å; L252-L255 HydrophobicContact CD2-CD1 3.79Å; L252-L255 WeakPolarHBondContact O-CB 3.38Å; L252-L255 PolarHBondContact O-N 3.14Å; L252-L255 VanDerWaalsContact O-N 3.12Å; L252-L260 HydrophobicContact CB-CD2 3.93Å; L252-L260 WeakPolarHBondContact O-CD2 3.32Å |
| 253 | T | 73.9 | Confident | 81 | Confident | 109 Ų | 109 | 75.1 Ų | 75.1 | 67% | 0.669 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -66.9 | -18.4 | -177.5 | 66.1 | 0 | 0 | 0 | 0 | 113.7 | D251 L255 | D251-T253 PolarHBondContact O-N 3.46Å; D251-T253 VanDerWaalsContact OD1-CB 3.29Å; D251-T253 WeakPolarHBondContact OD1-CB 3.45Å; D251-T253 VanDerWaalsContact OD1-CG2 3.3Å; D251-T253 WeakPolarHBondContact OD1-CG2 3.34Å; D251-T253 PolarHBondContact OD1-N 2.96Å; D251-T253 PolarHBondContact OD1-OG1 3.48Å; D251-T253 PolarHBondContact OD2-OG1 3.19Å; T253-L255 VanDerWaalsContact C-N 3.29Å |
| 254 | L | 76.5 | Confident | 81.2 | Confident | 149 Ų | 149 | 81.4 Ų | 81.4 | 78% | 0.78 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -81 | -5.1 | 176 | -60.7 | 175.2 | 0 | 0 | 0 | 113.7 | L252 | L252-L254 PolarHBondContact O-N 3.33Š|
| 255 | L | 77.7 | Confident | 81.5 | Confident | 25 Ų | 25 | 84.2 Ų | 84.2 | 13% | 0.131 | 44% | 0.443 | C | S | . | . | S | Bend | trans | -87.6 | 146.1 | 177.6 | -61.4 | 178.5 | 0 | 0 | 0 | 111.2 | I240 L252 T253 A259 L260 I263 | I240-L255 HydrophobicContact CD1-CD2 3.7Å; L252-L255 HydrophobicContact CD2-CD1 3.79Å; L252-L255 WeakPolarHBondContact O-CB 3.38Å; L252-L255 PolarHBondContact O-N 3.14Å; L252-L255 VanDerWaalsContact O-N 3.12Å; T253-L255 VanDerWaalsContact C-N 3.29Å; L255-A259 HydrophobicContact CB-CB 4.4Å; L255-L260 HydrophobicContact CB-CD2 4.25Å; L255-L260 HydrophobicContact CB-CG 4.1Å; L255-L260 HydrophobicContact CD1-CD2 4.45Å; L255-I263 HydrophobicContact CD1-CD1 3.53Å |
| 256 | D | 83.4 | Confident | 81.8 | Confident | 89 Ų | 89 | 83.3 Ų | 83.3 | 48% | 0.476 | 43% | 0.431 | S | S | . | . | trans | -56.9 | 149.9 | 174.1 | 177.3 | 49.2 | 0 | 0 | 0 | 112.1 | S258 A259 L260 | D256-S258 PolarHBondContact O-N 3.19Å; D256-S258 WeakPolarHBondContact OD2-CB 3.45Å; D256-S258 PolarHBondContact OD2-N 3.41Å; D256-A259 HydrophobicContact CB-CB 4.43Å; D256-A259 WeakPolarHBondContact O-CA 3.43Å; D256-A259 WeakPolarHBondContact O-CB 3.39Å; D256-A259 PolarHBondContact O-N 2.98Å; D256-L260 PolarHBondContact O-N 2.98Å | ||
| 257 | E | 85.9 | Confident | 82.1 | Confident | 108 Ų | 108 | 85.5 Ų | 85.5 | 51% | 0.505 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.5 | -33.8 | -176.4 | -149.6 | -148.4 | 143.3 | 0 | 0 | 111.9 | L260 R261 | E257-L260 PolarHBondContact O-N 2.98Å; E257-R261 VanDerWaalsContact O-CG 3.26Å; E257-R261 WeakPolarHBondContact O-CG 3.45Å; E257-R261 PolarHBondContact O-N 3.26Å; E257-R261 IonicContact OE1-CZ 3.47Å; E257-R261 IonicContact OE1-NE 3.95Å; E257-R261 PolarHBondContact OE1-NE 3.5Å; E257-R261 IonicContact OE1-NH2 3.45Å; E257-R261 PolarHBondContact OE1-NH2 3.47Å; E257-R261 IonicContact OE2-CZ 2.83Å; E257-R261 IonicContact OE2-NH2 2.63Å; E257-R261 PolarHBondContact OE2-NH2 2.67Å; E257-R261 VanDerWaalsContact OE2-NH2 3.15Å |
| 258 | S | 85.3 | Confident | 82.7 | Confident | 81 Ų | 81 | 86 Ų | 86 | 57% | 0.566 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -63.7 | -46.1 | 173.8 | -167.4 | 0 | 0 | 0 | 0 | 111.5 | D256 L260 R261 S262 | D256-S258 PolarHBondContact O-N 3.19Å; D256-S258 WeakPolarHBondContact OD2-CB 3.45Å; D256-S258 PolarHBondContact OD2-N 3.41Å; S258-L260 PolarHBondContact O-N 3.3Å; S258-R261 PolarHBondContact O-N 3.25Å; S258-S262 PolarHBondContact O-N 3.45Å |
| 259 | A | 82.9 | Confident | 83.2 | Confident | 0 Ų | 0 | 85.4 Ų | 85.4 | 0% | 0 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -61.2 | -44.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | V232 V234 L255 D256 R261 S262 I263 | V232-A259 HydrophobicContact CG1-CB 3.84Å; V234-A259 HydrophobicContact CG1-CB 4.18Å; L255-A259 HydrophobicContact CB-CB 4.4Å; D256-A259 HydrophobicContact CB-CB 4.43Å; D256-A259 WeakPolarHBondContact O-CA 3.43Å; D256-A259 WeakPolarHBondContact O-CB 3.39Å; D256-A259 PolarHBondContact O-N 2.98Å; A259-R261 PolarHBondContact O-N 3.04Å; A259-S262 WeakPolarHBondContact O-CB 3.44Å; A259-S262 PolarHBondContact O-N 2.78Å; A259-S262 VanDerWaalsContact O-N 3.14Å; A259-S262 PolarHBondContact O-OG 3.49Å; A259-I263 WeakPolarHBondContact O-CG1 3.2Å; A259-I263 PolarHBondContact O-N 3.47Å |
| 260 | L | 86.3 | Confident | 83.8 | Confident | 30 Ų | 30 | 86.3 Ų | 86.3 | 16% | 0.157 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -60.3 | -43.1 | 175.2 | -75.6 | 175.5 | 0 | 0 | 0 | 113.3 | L252 L255 D256 E257 S258 S262 I263 R264 | L252-L260 HydrophobicContact CB-CD2 3.93Å; L252-L260 WeakPolarHBondContact O-CD2 3.32Å; L255-L260 HydrophobicContact CB-CD2 4.25Å; L255-L260 HydrophobicContact CB-CG 4.1Å; L255-L260 HydrophobicContact CD1-CD2 4.45Å; D256-L260 PolarHBondContact O-N 2.98Å; E257-L260 PolarHBondContact O-N 2.98Å; S258-L260 PolarHBondContact O-N 3.3Å; L260-S262 VanDerWaalsContact C-N 3.31Å; L260-S262 PolarHBondContact O-N 3.04Å; L260-I263 PolarHBondContact O-N 3.16Å; L260-R264 VanDerWaalsContact O-CG 3.31Å; L260-R264 WeakPolarHBondContact O-CG 3.38Å; L260-R264 PolarHBondContact O-N 3.28Å |
| 261 | R | 87.3 | Confident | 84.6 | Confident | 150 Ų | 150 | 88 Ų | 88 | 57% | 0.566 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -61.4 | -40.9 | 173.8 | -70.5 | 169.6 | -172.9 | -170.7 | 7.6 | 111.1 | E257 S258 A259 R264 L265 | E257-R261 VanDerWaalsContact O-CG 3.26Å; E257-R261 WeakPolarHBondContact O-CG 3.45Å; E257-R261 PolarHBondContact O-N 3.26Å; E257-R261 IonicContact OE1-CZ 3.47Å; E257-R261 IonicContact OE1-NE 3.95Å; E257-R261 PolarHBondContact OE1-NE 3.5Å; E257-R261 IonicContact OE1-NH2 3.45Å; E257-R261 PolarHBondContact OE1-NH2 3.47Å; E257-R261 IonicContact OE2-CZ 2.83Å; E257-R261 IonicContact OE2-NH2 2.63Å; E257-R261 PolarHBondContact OE2-NH2 2.67Å; E257-R261 VanDerWaalsContact OE2-NH2 3.15Å; S258-R261 PolarHBondContact O-N 3.25Å; A259-R261 PolarHBondContact O-N 3.04Å; R261-R264 PolarHBondContact O-N 2.85Å; R261-L265 PolarHBondContact O-N 2.92Å |
| 262 | S | 86.1 | Confident | 85.3 | Confident | 43 Ų | 43 | 89 Ų | 89 | 30% | 0.301 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.5 | -42.1 | 177.4 | 83.2 | 0 | 0 | 0 | 0 | 112.9 | S258 A259 L260 L265 L266 | S258-S262 PolarHBondContact O-N 3.45Å; A259-S262 WeakPolarHBondContact O-CB 3.44Å; A259-S262 PolarHBondContact O-N 2.78Å; A259-S262 VanDerWaalsContact O-N 3.14Å; A259-S262 PolarHBondContact O-OG 3.49Å; L260-S262 VanDerWaalsContact C-N 3.31Å; L260-S262 PolarHBondContact O-N 3.04Å; S262-L265 PolarHBondContact O-N 3.44Å; S262-L266 PolarHBondContact O-N 3.24Å |
| 263 | I | 87.1 | Confident | 86 | Confident | 34 Ų | 34 | 92.8 Ų | 92.8 | 17% | 0.174 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 176.7 | -67.4 | 165.7 | 0 | 0 | 0 | 110.6 | V232 L242 L255 A259 L260 L265 L266 K267 | V232-I263 HydrophobicContact CG1-CD1 4.02Å; V232-I263 HydrophobicContact CG1-CG1 3.96Å; V232-I263 HydrophobicContact CG2-CD1 4.07Å; V232-I263 HydrophobicContact CG2-CG1 3.9Å; L242-I263 HydrophobicContact CD1-CD1 4.46Å; L255-I263 HydrophobicContact CD1-CD1 3.53Å; A259-I263 WeakPolarHBondContact O-CG1 3.2Å; A259-I263 PolarHBondContact O-N 3.47Å; L260-I263 PolarHBondContact O-N 3.16Å; I263-L265 PolarHBondContact O-N 2.98Å; I263-L266 PolarHBondContact O-N 3.03Å; I263-K267 PolarHBondContact O-N 3.25Å |
| 264 | R | 88.4 | Confident | 86.5 | Confident | 154 Ų | 154 | 92.9 Ų | 92.9 | 58% | 0.581 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62 | -41.5 | 176.3 | -71.3 | 172.2 | -175.2 | 165.3 | 3.7 | 112 | L260 R261 K267 N268 | L260-R264 VanDerWaalsContact O-CG 3.31Å; L260-R264 WeakPolarHBondContact O-CG 3.38Å; L260-R264 PolarHBondContact O-N 3.28Å; R261-R264 PolarHBondContact O-N 2.85Å; R264-K267 PolarHBondContact O-N 3.47Å; R264-N268 VanDerWaalsContact O-CG 3.26Å; R264-N268 PolarHBondContact O-N 3.46Å; R264-N268 PolarHBondContact O-OD1 3.39Å |
| 265 | L | 90.4 | Very high | 86.5 | Confident | 95 Ų | 95 | 87.1 Ų | 87.1 | 50% | 0.497 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.9 | -42 | 174.7 | 179.9 | 63.4 | 0 | 0 | 0 | 111.9 | R261 S262 I263 N268 R269 | R261-L265 PolarHBondContact O-N 2.92Å; S262-L265 PolarHBondContact O-N 3.44Å; I263-L265 PolarHBondContact O-N 2.98Å; L265-N268 PolarHBondContact O-N 3.44Å; L265-R269 WeakPolarHBondContact O-CG 3.28Å; L265-R269 PolarHBondContact O-N 3.05Å; L265-R269 VanDerWaalsContact O-N 3.13Å |
| 266 | L | 88.4 | Confident | 86.4 | Confident | 74 Ų | 74 | 91.8 Ų | 91.8 | 39% | 0.387 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.6 | -48.3 | 175.6 | 179.6 | 60.5 | 0 | 0 | 0 | 111.3 | I230 S262 I263 N268 R269 L270 | I230-L266 HydrophobicContact CG2-CD2 4.13Å; S262-L266 PolarHBondContact O-N 3.24Å; I263-L266 PolarHBondContact O-N 3.03Å; L266-N268 VanDerWaalsContact C-N 3.35Å; L266-N268 PolarHBondContact O-N 3.17Å; L266-R269 PolarHBondContact O-N 3.19Å; L266-L270 HydrophobicContact CD1-CD1 4.07Å; L266-L270 HydrophobicContact CD1-CG 4.12Å; L266-L270 HydrophobicContact CG-CD1 3.98Å; L266-L270 HydrophobicContact CG-CG 4.43Å; L266-L270 WeakPolarHBondContact O-CG 3.47Å; L266-L270 PolarHBondContact O-N 3.04Å |
| 267 | K | 88.6 | Confident | 85.3 | Confident | 138 Ų | 138 | 92.8 Ų | 92.8 | 60% | 0.6 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -51.1 | -54.2 | 174.6 | 178.5 | -176.3 | 176.2 | 177.9 | 0 | 110.9 | I263 R264 R269 L270 T271 | I263-K267 PolarHBondContact O-N 3.25Å; R264-K267 PolarHBondContact O-N 3.47Å; K267-R269 VanDerWaalsContact C-N 3.31Å; K267-R269 PolarHBondContact O-N 3.36Å; K267-L270 PolarHBondContact O-N 3.49Å; K267-L270 VanDerWaalsContact O-N 3.14Å; K267-T271 PolarHBondContact O-N 3.35Å; K267-T271 PolarHBondContact O-OG1 2.99Å |
| 268 | N | 91 | Very high | 83.6 | Confident | 94 Ų | 94 | 100.4 Ų | 100.4 | 50% | 0.503 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.4 | -42 | -176.5 | -68.8 | -0.4 | 0 | 0 | 0 | 111.8 | R264 L265 L266 T271 T272 | R264-N268 VanDerWaalsContact O-CG 3.26Å; R264-N268 PolarHBondContact O-N 3.46Å; R264-N268 PolarHBondContact O-OD1 3.39Å; L265-N268 PolarHBondContact O-N 3.44Å; L266-N268 VanDerWaalsContact C-N 3.35Å; L266-N268 PolarHBondContact O-N 3.17Å; N268-T271 WeakPolarHBondContact CA-OG1 3.44Å; N268-T271 PolarHBondContact O-N 2.96Å; N268-T271 PolarHBondContact O-OG1 3.32Å; N268-T272 PolarHBondContact O-N 2.92Å; N268-T272 PolarHBondContact O-OG1 3.12Å |
| 269 | R | 90.3 | Very high | 83.5 | Confident | 161 Ų | 161 | 101.4 Ų | 101.4 | 61% | 0.608 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.4 | -41.9 | 176.1 | -73 | -179.2 | 175.4 | -161.3 | -1.3 | 112.6 | L265 L266 K267 T272 L273 | L265-R269 WeakPolarHBondContact O-CG 3.28Å; L265-R269 PolarHBondContact O-N 3.05Å; L265-R269 VanDerWaalsContact O-N 3.13Å; L266-R269 PolarHBondContact O-N 3.19Å; K267-R269 VanDerWaalsContact C-N 3.31Å; K267-R269 PolarHBondContact O-N 3.36Å; R269-T272 PolarHBondContact O-N 3.06Å; R269-L273 WeakPolarHBondContact O-CG 3.48Å; R269-L273 PolarHBondContact O-N 3.18Å |
| 270 | L | 88.9 | Confident | 83.5 | Confident | 88 Ų | 88 | 106.7 Ų | 106.7 | 46% | 0.461 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.3 | -42 | 176.6 | -68.3 | 174.5 | 0 | 0 | 0 | 111.3 | L266 K267 T272 L273 C274 | L266-L270 HydrophobicContact CD1-CD1 4.07Å; L266-L270 HydrophobicContact CD1-CG 4.12Å; L266-L270 HydrophobicContact CG-CD1 3.98Å; L266-L270 HydrophobicContact CG-CG 4.43Å; L266-L270 WeakPolarHBondContact O-CG 3.47Å; L266-L270 PolarHBondContact O-N 3.04Å; K267-L270 PolarHBondContact O-N 3.49Å; K267-L270 VanDerWaalsContact O-N 3.14Å; L270-T272 VanDerWaalsContact C-N 3.29Å; L270-T272 PolarHBondContact O-N 3.06Å; L270-L273 PolarHBondContact O-N 2.99Å; L270-L273 VanDerWaalsContact O-N 3.11Å; L270-C274 WeakPolarHBondContact O-CB 3.21Å; L270-C274 PolarHBondContact O-N 3.01Å |
| 271 | T | 90.4 | Very high | 83.4 | Confident | 64 Ų | 64 | 111 Ų | 111 | 39% | 0.393 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.2 | -28.7 | 174.2 | 50.4 | 0 | 0 | 0 | 0 | 113.4 | K267 N268 G275 | K267-T271 PolarHBondContact O-N 3.35Å; K267-T271 PolarHBondContact O-OG1 2.99Å; N268-T271 WeakPolarHBondContact CA-OG1 3.44Å; N268-T271 PolarHBondContact O-N 2.96Å; N268-T271 PolarHBondContact O-OG1 3.32Å; T271-G275 CarbonylContact O-C 3.18Å; T271-G275 WeakPolarHBondContact O-CA 3.37Å; T271-G275 PolarHBondContact O-N 3.5Å; T271-G275 VanDerWaalsContact O-O 3.07Å |
| 272 | T | 89.4 | Confident | 83.1 | Confident | 119 Ų | 119 | 108.7 Ų | 108.7 | 73% | 0.73 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -72.4 | -33.5 | 171.8 | -53.9 | 0 | 0 | 0 | 0 | 112.3 | N268 R269 L270 | N268-T272 PolarHBondContact O-N 2.92Å; N268-T272 PolarHBondContact O-OG1 3.12Å; R269-T272 PolarHBondContact O-N 3.06Å; L270-T272 VanDerWaalsContact C-N 3.29Å; L270-T272 PolarHBondContact O-N 3.06Å |
| 273 | L | 87.6 | Confident | 82.9 | Confident | 143 Ų | 143 | 112.8 Ų | 112.8 | 75% | 0.749 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -84.3 | -38.5 | -176.7 | -71.1 | 170.7 | 0 | 0 | 0 | 113.6 | R269 L270 | R269-L273 WeakPolarHBondContact O-CG 3.48Å; R269-L273 PolarHBondContact O-N 3.18Å; L270-L273 PolarHBondContact O-N 2.99Å; L270-L273 VanDerWaalsContact O-N 3.11Å |
| 274 | C | 84.1 | Confident | 82.7 | Confident | 111 Ų | 111 | 118.1 Ų | 118.1 | 75% | 0.75 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -90.7 | -6.3 | -179.6 | -62.3 | 0 | 0 | 0 | 0 | 113.2 | L270 | L270-C274 WeakPolarHBondContact O-CB 3.21Å; L270-C274 PolarHBondContact O-N 3.01Å |
| 275 | G | 77.9 | Confident | 82.3 | Confident | 28 Ų | 28 | 115.5 Ų | 115.5 | 29% | 0.289 | 63% | 0.628 | S | S | . | * | trans | 76.7 | 175 | -166.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T271 S277 | T271-G275 CarbonylContact O-C 3.18Å; T271-G275 WeakPolarHBondContact O-CA 3.37Å; T271-G275 PolarHBondContact O-N 3.5Å; T271-G275 VanDerWaalsContact O-O 3.07Å; G275-S277 PolarHBondContact O-N 2.75Å | ||
| 276 | P | 73.8 | Confident | 81.6 | Confident | 124 Ų | 124 | 117.1 Ų | 117.1 | 81% | 0.805 | 64% | 0.638 | S | S | * | * | trans | -61.6 | 128.7 | 163.6 | 28.9 | -32.3 | 0 | 0 | 0 | 108.5 | ||||
| 277 | S | 62.2 | Low | 81.1 | Confident | 109 Ų | 109 | 120.7 Ų | 120.7 | 76% | 0.762 | 66% | 0.659 | S | S | * | * | trans | -63.4 | 138.3 | 163.1 | 53.4 | 0 | 0 | 0 | 0 | 109.1 | G275 | G275-S277 PolarHBondContact O-N 2.75Š| ||
| 278 | E | 48.5 | Very low | 80.4 | Confident | 269 Ų | 269 | 119.1 Ų | 119.1 | 100% | 1.257 | 66% | 0.664 | S | S | * | * | trans | -58.5 | 0 | 163.6 | -65.8 | -175.2 | 137.8 | 0 | 0 | 111.5 |
Retrieved 278 of 278 residues in 56.6 ms
(Link to these results)